기본 정보
- CAS
100482-86-8- 표준 SMILES
CC(C)C(C=O)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
OJZOHRDXAXKWNF-UHFFFAOYSA-N- 분자식
- C8H10F6O2
- 평균 분자량
- 252.15 g/mol
- 단동위원소 질량
- 252.05849853
이름 및 식별자
- 우선 이름
- Butyraldehyde, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3-methyl-
- IUPAC
- 4,4,4-trifluoro-3-hydroxy-2-propan-2-yl-3-(trifluoromethyl)butanal
이름 및 동의어
100482-86-8Butyraldehyde, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3-methyl-RefChem:10804063-Hydroxy-2-isopropyl-4,4,4-trifluoro-3-trifluoromethylbutyraldehydeNSC6639954,4,4-trifluoro-3-hydroxy-2-propan-2-yl-3-(trifluoromethyl)butanal4,4,4-Trifluoro-3-hydroxy-2-isopropyl-3-(trifluoromethyl)butanal2-(1-Hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-3-methylbutyraldehydeCHEMBL2006602DTXSID809055444,4,4-Trifluoro-3-hydroxy-2-(propan-2-yl)-3-(trifluoromethyl)butanalNSC-663995
이름 더 보기
NCI60_022013Butanal, 4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-Butanal, 4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-?
데이터베이스 식별자
- CAS
100482-86-8- PubChem CID
- 379447
- DTXSID
DTXSID80905544- ChEMBL
CHEMBL2006602- Nikkaji
- J65.802B
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 240
관련 반응
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