[1-(2,4-difluorophenyl)ethylideneamino]methanol

C9H9F2NO — CID 173483727

IUPAC[1-(2,4-difluorophenyl)ethylideneamino]methanol
SMILESCC(=NCO)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-6(12-5-13)8-3-2-7(10)4-9(8)11/h2-4,13H,5H2,1H3
InChIKeyHIGKZGSEGCHFAA-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.72
Rot. Bonds2

About [1-(2,4-difluorophenyl)ethylideneamino]methanol

[1-(2,4-difluorophenyl)ethylideneamino]methanol (PubChem CID 173483727) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)ethylideneamino]methanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)ethylideneamino]methanol
PubChem CID173483727
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name[1-(2,4-difluorophenyl)ethylideneamino]methanol
SMILESCC(=NCO)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-6(12-5-13)8-3-2-7(10)4-9(8)11/h2-4,13H,5H2,1H3
InChIKeyHIGKZGSEGCHFAA-UHFFFAOYSA-N
XLogP1.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [1-(2,4-difluorophenyl)ethylideneamino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

A-967079
CID 42641861
4'-Fluoroacetophenone oxime
CID 5382861
(NE)-N-[2-(3,4-difluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11550569
1-(4-Fluorophenyl)ethanone oxime
CID 9497
(NE)-N-[2-(3,4-difluorophenyl)-3-ethylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11579567
(NE)-N-[(E)-1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 44135995
(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
CID 60150207
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
(NE)-N-[2-(3,4-difluorophenyl)-3-methylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11586611
1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
CID 71317653
O-Fluoroacetophenone oxime
CID 9603264
(NE)-N-[(E)-1-(4-fluorophenyl)hex-1-en-3-ylidene]hydroxylamine
CID 44135993

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)ethylideneamino]methanol?
The IUPAC name of [1-(2,4-difluorophenyl)ethylideneamino]methanol (CID 173483727) is [1-(2,4-difluorophenyl)ethylideneamino]methanol.
What is the SMILES notation for [1-(2,4-difluorophenyl)ethylideneamino]methanol?
The canonical SMILES for [1-(2,4-difluorophenyl)ethylideneamino]methanol is CC(=NCO)c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)ethylideneamino]methanol?
The InChIKey is HIGKZGSEGCHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6(12-5-13)8-3-2-7(10)4-9(8)11/h2-4,13H,5H2,1H3.
What are the key properties of [1-(2,4-difluorophenyl)ethylideneamino]methanol?
[1-(2,4-difluorophenyl)ethylideneamino]methanol has a molecular weight of 185.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)ethylideneamino]methanol is sourced from PubChem (CID 173483727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).