기본 정보
- CAS
55538-87-9- 표준 SMILES
O=C(NCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
HIUHYYIAZBIILC-UHFFFAOYSA-N- 분자식
- C20H8F21NO5
- 평균 분자량
- 741.2 g/mol
- 단동위원소 질량
- 741.0067138
이름 및 식별자
- 우선 이름
- Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)ethyl]phenyl ester
- IUPAC
- [4-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
- 현지명
- 헵타플루오로부티르산4-[2-[(헵타플루오로부티릴)아미노]-1-[(헵타플루오로부티릴)옥시]에틸]페닐에스테르
- 영어명
- Heptafluorobutyric acid 4-[2-[(heptafluorobutyryl)amino]-1-[(heptafluorobutyryl)oxy]ethyl]phenyl ester
- 분자식
- C20H8F21NO5
- 분자량
- 741.25
이름 및 동의어
55538-87-9Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)ethyl]phenyl esterHIUHYYIAZBIILC-UHFFFAOYSA-NDTXSID701045395Octopamine, tris-(N,O,O-HFB)-[4-[2-(Perfluorobutanoyl)amino-1-(perfluorobutanoyloxy)ethyl]phenyl] perfluorobutanoate4-(2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]-1-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]ethyl)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate #헵타플루오로부티르산4-[2-[(헵타플루오로부티릴)아미노]-1-[(헵타플루오로부티릴)옥시]에틸]페닐에스테르Heptafluorobutyric acid 4-[2-[(heptafluorobutyryl)amino]-1-[(heptafluorobutyryl)oxy]ethyl]phenyl esterButanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)ethyl]phenyl ester (9CI)
데이터베이스 식별자
- CAS
55538-87-9- PubChem CID
- 597975
- DTXSID
DTXSID701045395- Nikkaji
- J132.743G
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,150
물리화학적 성질
- 끓는 점
- 435.5 · 435.5±45.0 °C(Predicted)
- 밀도
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.11 · 10.11±0.46(Predicted)
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