N-(1-Methylhexyl)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxamide

HCID 10270978
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기본 정보

표준 SMILES
CCCCCC(C)NC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIKey
JIKHYYKSXSXRDY-UHFFFAOYSA-N
분자식
C14H20F6N2O3
평균 분자량
378.31 g/mol

이름 및 식별자

우선 이름
N-(1-Methylhexyl)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxamide
IUPAC
N-heptan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

이름 및 동의어

CHEMBL211992N-(1-Methylhexyl)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxamideSCHEMBL647139BDBM501903965-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carboxylic acid (1-methyl-hexyl)-amideN-(1-Methyl hexyl)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxamide

데이터베이스 식별자

PubChem CID
10270978
ChEMBL
CHEMBL211992

물성

구조 계산 물성

XLogP
3.8
극성 표면적
70.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
25

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