4-(5-Fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

HCID 11573122

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

관련 반응

61건

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