N-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl}3-nitrobenzamide

HCID 86616583

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

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