Ethyl N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-glycinate

HCID 10406140

기본 정보

표준 SMILES
CCOC(=O)CN(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIKey
VBYSQNDMVRAMSA-UHFFFAOYSA-N
분자식
C14H15F6NO3
평균 분자량
359.26 g/mol

이름 및 식별자

우선 이름
Ethyl N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-glycinate
IUPAC
ethyl 2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylanilino]acetate

이름 및 동의어

Ethyl N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-glycinateSCHEMBL6485130ethyl N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}glycinate

데이터베이스 식별자

PubChem CID
10406140

물성

구조 계산 물성

XLogP
3.5
극성 표면적
49.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
24

관련 반응

6건

화합물 노트

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Ethyl N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-glycinate (HCID 10406140)|Huagongshe