1-{4-Hydroxy-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}ethan-1-one

기본 정보

CAS: 808122-97-6
표준 SMILES: CC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)c1O
InChIKey: UMEXFNQDSIYYCW-UHFFFAOYSA-N
분자식: C13H9F3O2S
평균 분자량: 286.27 g/mol
단동위원소 질량: 286.02753519

이름 및 식별자

우선 이름: 1-{4-Hydroxy-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}ethan-1-one
IUPAC: 1-[4-hydroxy-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone

이름 및 동의어

808122-97-61-{4-Hydroxy-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}ethan-1-oneSCHEMBL278003DTXSID307338792-(4-trifluoromethylphenyl)-3-hydroxy-4-methylcarbonylthiophene2-(4-Trifluoromethylphenyl)-3-hydroxy-4-methylcarbonyl thiophene

데이터베이스 식별자

CAS: 808122-97-6
PubChem CID: 60206789
DTXSID: DTXSID30733879

물성

구조 계산 물성

XLogP: 4
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 337

관련 반응

20건

반응 기록 만들기

HRID 166933반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 200701반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 213563반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 239220생성물로uspto-grants-2014_02

HRID 1130393반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1201236반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1231237반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1553080반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기