2-Hydroxy-4-methyl-4-phenyl-2-trifluoromethylpentanal

HCID 17989092

기본 정보

표준 SMILES: CC(C)(CC(O)(C=O)C(F)(F)F)c1ccccc1
InChIKey: RAKMLKGWTWJRGH-UHFFFAOYSA-N
분자식: C13H15F3O2
평균 분자량: 260.25 g/mol

이름 및 식별자

우선 이름: 2-Hydroxy-4-methyl-4-phenyl-2-trifluoromethylpentanal
IUPAC: 2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentanal

이름 및 동의어

2-hydroxy-4-methyl-4-phenyl-2-trifluoromethylpentanalSCHEMBL35331932-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentanal2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)-pentanal

데이터베이스 식별자

PubChem CID: 17989092

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 293

관련 반응

27건

반응 기록 만들기

HRID 102793반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 318166반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 675550반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685074반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 807650반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 1116075반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1214458반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1443170반응물로uspto-grants-2010_02

연결된 노트

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