기본 정보
- 표준 SMILES
O[C@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Br)c1)C(F)(F)F- InChIKey
XRIVZFQNQAJERJ-OAHLLOKOSA-N- 분자식
- C17H14BrF6NO2
- 평균 분자량
- 458.2 g/mol
- 단동위원소 질량
- 457.01121
이름 및 식별자
- 우선 이름
- (2R)-3-[[(3-bromophenyl)] [[3-(trifluoromethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol
- IUPAC
- (2R)-3-[3-bromo-N-[[3-(trifluoromethoxy)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
이름 및 동의어
(2R)-3-[[(3-bromophenyl)] [[3-(trifluoromethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanolSCHEMBL3281880(2R)-3-[[(3-bromophenyl) ][[3-(tri-fluoromethoxy)phenyl]methyl]amino]-1,1,1 -trifluoro-2-propanol(2R)-3-[[(3-bromophenyl)] [[3-(tri-fluoromethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol(2R)-3-[[(3-bromophenyl)] [[3-(trifluoromethoxy)phenyl] methyl]amino]-1,1,1-trifluoro-2-propanol(2R)-3-[[(3-bromophenyl)][[3-(tri-fluoromethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol(2R)-3-[[(3-bromophenyl)][[3-(trifluoromethoxy)phenyl] methyl]amino]-1,1,1-trifluoro-2-propanol(2R)-3-[[(3-bromophenyl)][[3-(trifluoromethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol
데이터베이스 식별자
- PubChem CID
- 86586491
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 462
관련 반응
9건
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