기본 정보
- CAS
376348-78-6- 표준 SMILES
O=CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1- InChIKey
FCEMFOOGKQYYIR-AWEZNQCLSA-N- 분자식
- C16H19F2NO2
- 평균 분자량
- 295.32 g/mol
- 단동위원소 질량
- 295.13838517
이름 및 식별자
- 우선 이름
- 4,4-Difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexanecarboxamide
- IUPAC
- 4,4-difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide
- 영어명
- 4,4-Difluoro-N-((1S)-3-oxo-1-phenylpropyl)cyclohexane-1-carboxamide
- 분자식
- C16H19F2NO2
- 분자량
- 295.32
이름 및 동의어
376348-78-6EC 638-777-94,4-Difluoro-N-((1S)-3-oxo-1-phenylpropyl)cyclohexanecarboxamide4,4-difluoro-n-[(1S)-3-oxo-1-phenylpropyl]cyclohexanecarboxamideRefChem:96338638-777-94,4-DIFLUORO-N-((1S)-3-OXO-1-PHENYLPROPYL)CYCLOHEXANE-1-CARBOXAMIDE(S)-4,4-Difluoro-N-(3-oxo-1-phenylpropyl)cyclohexanecarboxamide(S)-4,4-difluoro-N-(3-oxo-1-phenylpropyl)cyclohexane-1-carboxamide4,4-DIFLUORO-N-[(1S)-3-OXO-1-PHENYLPROPYL]CYCLOHEXANE-1-CARBOXAMIDECyclohexanecarboxamide, 4,4-difluoro-N-[(1S)-3-oxo-1-phenylpropyl]-; 4,4-Difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexanecarboxamide; (s)-4,4-Difluoro-n-(3-oxo-1-phenylpropyl)cyclohexanecarboxamide; 4,4-Difluorocyclohexanecarboxylic acid N-((1S)-3-oxo-1-phenylpropyl)amide; UK-453,453; Maraviroc relatedSCHEMBL709191
이름 더 보기
Cyclohexanecarboxamide, 4,4-difluoro-N-[(1S)-3-oxo-1-phenylp...4,4-difluorocyclohexanecarboxylic acid (3-oxo-1-phenyl-propyl)-amideCyclohexanecarboxamide, 4,4- difluoro-N-[(1S)-3-oxo-1-[phenylpropyl]-4,4-Difluorocyclohexanecarboxylic acid N-((1S)-3-oxo-1-phenylpropyl)amide
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 46.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 357
물리화학적 성질
- InChI
- InChI=1S/C16H19F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H,19,21)/t14-/m0/s1
- InChIKey
- FCEMFOOGKQYYIR-AWEZNQCLSA-N
- SMILES
- C1(C(N[C@H](C2=CC=CC=C2)CC=O)=O)CCC(F)(F)CC1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (30 of 30) of all reports.
Not Classified
Aggregated GHS information provided per 30 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 4,4-Difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexanecarboxamide (EC: 638-777-9)
Hazard Classes and CategoriesNot Classified
화학 및 산업
응용 분야
용도4,4-Difluoro-N-((1S)-3-oxo-1-phenylpropyl)cyclohexane-1-carboxamide is an organic amide and can be used as a pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
공급사28 곳
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海玉雕化学技术有限公司021-37285211 18964703211 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
上海格物致知医药科技有限公司21-21-54301573 13917723525 · [email protected]
武汉锶博睿医药技术有限公司027-87689766 13797071802 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
艾吉析科技（上海）有限公司
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