2,5-Dimethyl-4-(4-(trifluoromethyl)benzyl)thiophene-3-carboxylic acid

HCID 45140786

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1006037-08-6
표준 SMILES: Cc1sc(C)c(C(=O)O)c1Cc1ccc(C(F)(F)F)cc1
InChIKey: WBADBJDOSDVJBE-UHFFFAOYSA-N
분자식: C15H13F3O2S
평균 분자량: 314.3 g/mol
단동위원소 질량: 314.05883531

이름 및 식별자

우선 이름: 2,5-Dimethyl-4-(4-(trifluoromethyl)benzyl)thiophene-3-carboxylic acid
IUPAC: 2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid

이름 및 동의어

1006037-08-62,5-Dimethyl-4-(4-(trifluoromethyl)benzyl)thiophene-3-carboxylic acid2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]thiophene-3-carboxylic acid4-(4-(TRIFLUOROMETHYL)BENZYL)-2,5-DIMETHYLTHIOPHENE-3-CARBOXYLIC ACIDSCHEMBL4091100DTXSID70669481DB-2167352,5-Dimethyl-4-(4-(trifluoromethyl)benzyl)thiophene-3-carboxylicacid2,5-Dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}thiophene-3-carboxylic acid

데이터베이스 식별자

CAS: 1006037-08-6
PubChem CID: 45140786
DTXSID: DTXSID70669481

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 378

화합물 노트

불러오는 중…