기본 정보
- CAS
1082949-99-2- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1- InChIKey
QJMZCTXXDQBKAB-UHFFFAOYSA-N- 분자식
- C20H24F4N2O4
- 평균 분자량
- 432.4 g/mol
- 단동위원소 질량
- 432.16722013
이름 및 식별자
- 우선 이름
- 1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine
- IUPAC
- tert-butyl 4-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
- 영어명
- tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate
- 분자식
- C20H24F4N2O4
- 분자량
- 432.41
이름 및 동의어
1082949-99-21-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidinetert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylateMFCD15071415tert-butyl 4-((2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethyl)carbamoyl)piperidine-1-carboxylate1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidinetert-butyl 4-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylatetert-Butyl 4-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylatetert-Butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylateSCHEMBL2063004DTXSID80701740C20H24F4N2O4
이름 더 보기
4-[[[2-[4-Fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]amino]carbonyl]-1-piperidinecarboxylic acid tert-butyl ester
AKOS016007627CS-13206SY479040CS-0028273F6011661-Boc-N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]piperidine-4-carboxamide1-Piperidinecarboxylic acid, 4-[[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 75.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 640
물리화학적 성질
- 끓는 점
- 546.5 · 546.5±50.0 °C(Predicted)
- 밀도
- 1.277 · 1.277
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 13 · 13+-.0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933399990
화학 및 산업
공급사25 곳
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