기본 정보
- 표준 SMILES
N#Cc1cc(-n2nc(C(F)(F)F)cc2CO)ccc1F- InChIKey
ONFMCPUNGTZGAN-UHFFFAOYSA-N- 분자식
- C12H7F4N3O
- 평균 분자량
- 285.2 g/mol
이름 및 식별자
- 우선 이름
- 1-(4-Fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethylpyrazole
- IUPAC
- 2-fluoro-5-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
이름 및 동의어
1-(4-fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethylpyrazoleSCHEMBL38303251-(3-cyano-4-fluoro-phenyl)-3-trifluoromethyl-5-hydroxymethyl pyrazole1-(3-cyano-4-fluoro-phenyl)-3-trifluoromethyl-5-hydroxymethylpyrazole1-(3-cyano-4-fluorophenyl)-3-trifluoromethyl-5-hydroxymethyl pyrazole1-(4-fluoro-3-cyanophenyl)-3-trifluoromethyl-5-hydroxymethyl pyrazole
데이터베이스 식별자
- PubChem CID
- 22280740
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 394
관련 반응
18건
화합물 노트
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