2-(1,2-Dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5-carbonitrile

HCID 66864495CAS 868692-84-6

기본 정보

표준 SMILES
CC(O)(CO)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1
InChIKey
GWWASNRIYXATED-UHFFFAOYSA-N
분자식
C13H11F3N2O2
평균 분자량
284.23 g/mol
단동위원소 질량
284.07726225

이름 및 식별자

우선 이름
2-(1,2-Dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5-carbonitrile
IUPAC
2-(1,2-dihydroxypropan-2-yl)-6-(trifluoromethyl)-1H-indole-5-carbonitrile

이름 및 동의어

2-(1,2-Dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5-carbonitrileSCHEMBL977353DTXSID4011420272-(1,2-dihydroxypropan-2-yl)-6-(trifluoromethyl)-1H-indole-5-carbonitrile2-(1,2-dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1-H -indole-5-carbonitrile2-(1,2-dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1-H-indole-5-carbonitrile2-(1,2-Dihydroxy-1-methylethyl)-6-(trifluoromethyl)-1H-indole-5-carbonitrile868692-84-6

데이터베이스 식별자

CAS
868692-84-6
PubChem CID
66864495
DTXSID
DTXSID401142027

물성

구조 계산 물성

XLogP
1.3
극성 표면적
80 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
20

관련 반응

15건

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