3,3,3-Trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propylamine

HCID 45107971

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(CO)C(C(F)(F)F)C(F)(F)F
InChIKey: OCQSSEXKSFDUAH-UHFFFAOYSA-N
분자식: C5H7F6NO
평균 분자량: 211.11 g/mol

이름 및 식별자

우선 이름: 3,3,3-Trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propylamine
IUPAC: 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol

이름 및 동의어

2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol769169-26-83,3,3-trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propylamineSCHEMBL2888190OCQSSEXKSFDUAH-UHFFFAOYSA-NWMQAJIAMUCQXTQ-UHFFFAOYSA-N4,4,4,4',4',4'-hexafluoro-dl-valinol4,4,4,4',4',4'-hexafluoro-d1-valinolEN300-19364263,3,3-trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propyl amine

데이터베이스 식별자

PubChem CID: 45107971

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

관련 반응

25건

반응 기록 만들기

HRID 89014 반응식

HRID 89014반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103697 반응식

HRID 103697반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 141649 반응식

HRID 141649생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152025 반응식

HRID 152025반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 184947 반응식

HRID 184947생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202485 반응식

HRID 202485반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1127976 반응식

HRID 1127976반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1133899 반응식

HRID 1133899생성물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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