기본 정보
- 표준 SMILES
Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
XOZIOCFPZUEHPE-UHFFFAOYSA-N- 분자식
- C18H14F6N2O4
- 평균 분자량
- 436.3 g/mol
- 단동위원소 질량
- 436.0857759
이름 및 식별자
- 우선 이름
- N-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl}3-nitrobenzamide
- IUPAC
- N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]-3-nitrobenzamide
이름 및 동의어
N-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl}3-nitrobenzamideN-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl}phenyl]3-nitrobenzamideSCHEMBL1823158N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]-3-nitrobenzamideN-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl) ethyl]phenyl}3-nitrobenzamideN-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl}phenyl] 3-nitrobenzamideN-[2,6-dimethyl-4-{l-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl}phenyl]3-nitrobenzamide
데이터베이스 식별자
- PubChem CID
- 86616583
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 95.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 622
관련 반응
7건
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