N-ethoxy-2,2-difluoroacetamide

C4H7F2NO2 — CID 103610610

IUPACN-ethoxy-2,2-difluoroacetamide
SMILESCCONC(=O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-2-9-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKeyYCIGQKIKQUBFBT-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.32
Rot. Bonds3

About N-ethoxy-2,2-difluoroacetamide

N-ethoxy-2,2-difluoroacetamide (PubChem CID 103610610) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is N-ethoxy-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-ethoxy-2,2-difluoroacetamide
PubChem CID103610610
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC NameN-ethoxy-2,2-difluoroacetamide
SMILESCCONC(=O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-2-9-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKeyYCIGQKIKQUBFBT-UHFFFAOYSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethoxy-2,2-difluoroacetamide 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 N-ethoxy-2,2-difluoroacetamide?
The IUPAC name of N-ethoxy-2,2-difluoroacetamide (CID 103610610) is N-ethoxy-2,2-difluoroacetamide.
What is the SMILES notation for N-ethoxy-2,2-difluoroacetamide?
The canonical SMILES for N-ethoxy-2,2-difluoroacetamide is CCONC(=O)C(F)F.
What is the InChIKey of N-ethoxy-2,2-difluoroacetamide?
The InChIKey is YCIGQKIKQUBFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-2-9-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8).
What are the key properties of N-ethoxy-2,2-difluoroacetamide?
N-ethoxy-2,2-difluoroacetamide has a molecular weight of 139.10 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2-difluoroacetamide is sourced from PubChem (CID 103610610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).