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
- 형식 전하
- 0
- 복잡도
- 420
관련 반응
15건
연결된 노트
불러오는 중…