2-[(2-Bromo-6-fluorophenyl)methoxy]-1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane
기본 정보
- CAS
2892524-04-6- 표준 SMILES
CC(C)C12CCC(C)(O1)C(OCc1c(F)cccc1Br)C2- InChIKey
COHOXAPLFQQAGA-UHFFFAOYSA-N- 분자식
- C17H22BrFO2
- 평균 분자량
- 357.3 g/mol
- 단동위원소 질량
- 356.07872
개요
2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane is an oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-bromo-6-fluorophenyl)methoxy group. It is a cineole, a member of bromobenzenes, an oxabicycloalkane, a benzyl ether and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- 2-[(2-Bromo-6-fluorophenyl)methoxy]-1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane
- IUPAC
- 2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
- 영어명
- 7-Oxabicyclo[2.2.1]heptane, 2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(1-methylethyl)-
- 분자식
- C17H22BrFO2
- 분자량
- 357.26
이름 및 동의어
2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane2892524-04-6SCHEMBL30880272SCHEMBL41860461CHEBI:229490DTXSID2013698532-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane2-[(2-bromo-6-fluorophenyl)methoxy]-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptaneCinflubrolin7-Oxabicyclo[2.2.1]heptane, 2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(1-methylethyl)-
데이터베이스 식별자
- CAS
2892524-04-6- PubChem CID
- 170835663
- DTXSID
DTXSID201369853- ChEBI
CHEBI:229490
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 391
물리화학적 성질
- 끓는 점
- 376.4 · 376.4±32.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
관련 반응
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