Carbamic acid,[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

HCID 76849205

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(C(F)(F)F)cc1N
InChIKey: VTSJYKYERZLMEK-UHFFFAOYSA-N
분자식: C14H16F6N2O3
평균 분자량: 374.28 g/mol

이름 및 식별자

우선 이름: Carbamic acid,[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester
IUPAC: tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]carbamate

이름 및 동의어

carbamic acid,[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester473547-75-0SCHEMBL5562433[2-Amino-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester[2-Amino-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert.-butyl ester

데이터베이스 식별자

PubChem CID: 76849205

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 73.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 5
무거운 원자 수: 25
형식 전하: 0
복잡도: 461

관련 반응

67건

반응 기록 만들기

HRID 90344 반응식

HRID 90344반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96219 반응식

HRID 96219반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123195 반응식

HRID 123195반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125423 반응식

HRID 125423반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 141605 반응식

HRID 141605반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 142431 반응식

HRID 142431반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164010 반응식

HRID 164010반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 286716 반응식

HRID 286716반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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