1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol

C9H9F2NO2 — CID 74014538

IUPAC1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol
SMILESCC(O)C(=NO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO2/c1-5(13)9(12-14)6-2-3-7(10)8(11)4-6/h2-5,13-14H,1H3
InChIKeyDILKBKMJSCCDFA-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.52
Rot. Bonds2

About 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol

1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol (PubChem CID 74014538) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol
PubChem CID74014538
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol
SMILESCC(O)C(=NO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO2/c1-5(13)9(12-14)6-2-3-7(10)8(11)4-6/h2-5,13-14H,1H3
InChIKeyDILKBKMJSCCDFA-UHFFFAOYSA-N
XLogP1.52
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol (CID 74014538) is 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol is CC(O)C(=NO)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol?
The InChIKey is DILKBKMJSCCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5(13)9(12-14)6-2-3-7(10)8(11)4-6/h2-5,13-14H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol?
1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol has a molecular weight of 201.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol is sourced from PubChem (CID 74014538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).