기본 정보
- CAS
103833-18-7- 표준 SMILES
CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1- InChIKey
YLFSVIMMRPNPFK-UHFFFAOYSA-N- 분자식
- C26H21F6NO5
- 평균 분자량
- 541.4 g/mol
- 단동위원소 질량
- 541.13239174
이름 및 식별자
- 우선 이름
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propenyl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
이름 및 동의어
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propenyl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)-orb1702622SCHEMBL7950491SCHEMBL7950492DTXSID50861163YLFSVIMMRPNPFK-UHFFFAOYSA-N(S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-((Z)-3-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylateCyclopropanecarboxylic acid, 2,2-dimethyl-3-(3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester[cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylatealpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-[3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propenyl]cyclopropanecarboxylatecyano(3-phenoxyphenyl)methyl 3-{3-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-3-oxoprop-1-en-1-yl}-2,2-dimethylcyclopropane-1-carboxylate
데이터베이스 식별자
- CAS
103833-18-7- PubChem CID
- 93538
- DTXSID
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 85.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 917
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