4-[(2-Fluoro-3-trifluoromethylphenyl)-hydroxyimino-methyl]-piperidine-1-carboxylic acid tert-butyl ester

HCID 72434567

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCC(C(=NO)c2cccc(C(F)(F)F)c2F)CC1
InChIKey
SMMKMUGFBJKVAG-UHFFFAOYSA-N
분자식
C18H22F4N2O3
평균 분자량
390.4 g/mol
단동위원소 질량
390.15665522

이름 및 식별자

우선 이름
4-[(2-Fluoro-3-trifluoromethylphenyl)-hydroxyimino-methyl]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[C-[2-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxycarbonimidoyl]piperidine-1-carboxylate

이름 및 동의어

4-[(2-fluoro-3-trifluoromethylphenyl)-hydroxyimino-methyl]-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL29617204-[(2-fluoro-3-trifluoromethyl-phenyl)-hydroxyimino-methyl]-piperidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
72434567

물성

구조 계산 물성

XLogP
4.2
극성 표면적
62.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
27

관련 반응

6건

연결된 노트

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4-[(2-Fluoro-3-trifluoromethylphenyl)-hydroxyimino-methyl]-piperidine-1-carboxylic acid tert-butyl ester (HCID 72434567)|Huagongshe