기본 정보
- CAS
887375-38-4- 표준 SMILES
CC(C)(CC(O)(C=O)C(F)(F)F)c1cc(F)cc2c1OCC2- InChIKey
ZMCXCAHHNTVMPX-UHFFFAOYSA-N- 분자식
- C15H16F4O3
- 평균 분자량
- 320.28 g/mol
- 단동위원소 질량
- 320.10355725
이름 및 식별자
- 우선 이름
- 4-(2,3-Dihydro-5-fluoro-7-benzofuranyl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal
- IUPAC
- 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
이름 및 동의어
4-(2,3-dihydro-5-fluoro-7-benzofuranyl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal887375-38-44-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalSCHEMBL3953152DTXSID0011307474-(2,3-dihydro-5-fluorobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal5-Fluoro-2,3-dihydro-I+/--hydroxy-I(3),I(3)-dimethyl-I+/--(trifluoromethyl)-7-benzofuranbutanal
데이터베이스 식별자
- CAS
887375-38-4- PubChem CID
- 44184989
- DTXSID
DTXSID001130747
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 424
관련 반응
15건
화합물 노트
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