2alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-methanol
기본 정보
- 표준 SMILES
C[C@@H](O[C@H]1CC[C@@H](CO)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
FNVKPKURIOTIBW-FINPGKJESA-N- 분자식
- C22H21F7O2
- 평균 분자량
- 450.4 g/mol
이름 및 식별자
- 우선 이름
- 2alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-methanol
- IUPAC
- [(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methanol
이름 및 동의어
SCHEMBL12763002alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-methanol1-(s)-(1-(r)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(r)-(4-fluorophenyl)-3-(r)-(hydroxymethyl)-cyclopentane1-(S)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(R)-(4-fluorophenyl)-3-(R)-(hydroxymethyl)cyclopentane
데이터베이스 식별자
- PubChem CID
- 16087723
- Nikkaji
- J2.384.569E
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 549
관련 반응
2건
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