2,2-difluoro-N-methoxy-N-methylacetamide

C4H7F2NO2 — CID 19023731

IUPAC2,2-difluoro-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-7(9-2)4(8)3(5)6/h3H,1-2H3
InChIKeyCUPRFYMJGQMIIC-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.27
Rot. Bonds2

About 2,2-difluoro-N-methoxy-N-methylacetamide

2,2-difluoro-N-methoxy-N-methylacetamide (PubChem CID 19023731) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-N-methylacetamide
PubChem CID19023731
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name2,2-difluoro-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-7(9-2)4(8)3(5)6/h3H,1-2H3
InChIKeyCUPRFYMJGQMIIC-UHFFFAOYSA-N
XLogP0.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxy-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-methoxy-N-methylacetamide (CID 19023731) is 2,2-difluoro-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-methoxy-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-methoxy-N-methylacetamide is CON(C)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxy-N-methylacetamide?
The InChIKey is CUPRFYMJGQMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-7(9-2)4(8)3(5)6/h3H,1-2H3.
What are the key properties of 2,2-difluoro-N-methoxy-N-methylacetamide?
2,2-difluoro-N-methoxy-N-methylacetamide has a molecular weight of 139.10 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxy-N-methylacetamide is sourced from PubChem (CID 19023731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).