기본 정보
- CAS
154956-81-7- 표준 SMILES
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1- InChIKey
BETHXCLHMRGYBW-UHFFFAOYSA-N- 분자식
- C20H21ClFNO2
- 평균 분자량
- 361.8 g/mol
- 단동위원소 질량
- 361.1244848
개요
structure in first source
이름 및 식별자
- 우선 이름
- 4-(3-(4-Chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
- IUPAC
- 4-[3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
이름 및 동의어
4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one4-[3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one4-CP-HP-FPB cpdRefChem:912119CHEMBL150161(+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one(+)-4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one(-)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one(-)-4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-oneSCHEMBL3122836DTXSID801139305
이름 더 보기
BDBM50185474154956-81-7PD0916294-[3-(4-Chloro-phenyl)-3-hydroxy-pyrrolidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one4-[3-(4-Chlorophenyl)-3-hydroxy-1-pyrrolidinyl]-1-(4-fluorophenyl)-1-butanone
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 447
관련 반응
0건
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