기본 정보
- 표준 SMILES
COc1ccc(F)cc1C(C)(C)CC(O)(C=O)C(F)(F)F- InChIKey
WRFLLCIDQDAHGU-UHFFFAOYSA-N- 분자식
- C14H16F4O3
- 평균 분자량
- 308.27 g/mol
이름 및 식별자
- 우선 이름
- 4-(5-Fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
- IUPAC
- 4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
이름 및 동의어
4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalSCHEMBL46293044-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentanal4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal4-(5-Fluoro-2-methoxyphenyl) -2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)-pentanal4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
데이터베이스 식별자
- PubChem CID
- 11573122
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
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 370
관련 반응
61건
화합물 노트
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