4-(2,3-Dihydro-5-fluoro-7-benzofuranyl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal

HCID 44184989

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

관련 반응

15건

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