2,2-difluoro-N-(1-hydroxyethyl)propanamide

C5H9F2NO2 — CID 139681280

IUPAC2,2-difluoro-N-(1-hydroxyethyl)propanamide
SMILESCC(O)NC(=O)C(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-3(9)8-4(10)5(2,6)7/h3,9H,1-2H3,(H,8,10)
InChIKeyJEPCLXIHLFXYKK-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.10
Rot. Bonds2

About 2,2-difluoro-N-(1-hydroxyethyl)propanamide

2,2-difluoro-N-(1-hydroxyethyl)propanamide (PubChem CID 139681280) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-hydroxyethyl)propanamide
PubChem CID139681280
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2,2-difluoro-N-(1-hydroxyethyl)propanamide
SMILESCC(O)NC(=O)C(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-3(9)8-4(10)5(2,6)7/h3,9H,1-2H3,(H,8,10)
InChIKeyJEPCLXIHLFXYKK-UHFFFAOYSA-N
XLogP0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N-(1-hydroxyethyl)propanamide 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 2,2-difluoro-N-(1-hydroxyethyl)propanamide?
The IUPAC name of 2,2-difluoro-N-(1-hydroxyethyl)propanamide (CID 139681280) is 2,2-difluoro-N-(1-hydroxyethyl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(1-hydroxyethyl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(1-hydroxyethyl)propanamide is CC(O)NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-hydroxyethyl)propanamide?
The InChIKey is JEPCLXIHLFXYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-3(9)8-4(10)5(2,6)7/h3,9H,1-2H3,(H,8,10).
What are the key properties of 2,2-difluoro-N-(1-hydroxyethyl)propanamide?
2,2-difluoro-N-(1-hydroxyethyl)propanamide has a molecular weight of 153.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-hydroxyethyl)propanamide is sourced from PubChem (CID 139681280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).