3,3-difluoro-2-methylprop-2-enamide

C4H5F2NO — CID 139633729

IUPAC3,3-difluoro-2-methylprop-2-enamide
SMILESCC(C(N)=O)=C(F)F
InChIInChI=1S/C4H5F2NO/c1-2(3(5)6)4(7)8/h1H3,(H2,7,8)
InChIKeyWPIDHKBPPSRSQF-UHFFFAOYSA-N
MW121.09 g/mol
LogP0.64
Rot. Bonds1

About 3,3-difluoro-2-methylprop-2-enamide

3,3-difluoro-2-methylprop-2-enamide (PubChem CID 139633729) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 3,3-difluoro-2-methylprop-2-enamide.

Molecular Properties

Compound Name3,3-difluoro-2-methylprop-2-enamide
PubChem CID139633729
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name3,3-difluoro-2-methylprop-2-enamide
SMILESCC(C(N)=O)=C(F)F
InChIInChI=1S/C4H5F2NO/c1-2(3(5)6)4(7)8/h1H3,(H2,7,8)
InChIKeyWPIDHKBPPSRSQF-UHFFFAOYSA-N
XLogP0.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylprop-2-enamide?
The IUPAC name of 3,3-difluoro-2-methylprop-2-enamide (CID 139633729) is 3,3-difluoro-2-methylprop-2-enamide.
What is the SMILES notation for 3,3-difluoro-2-methylprop-2-enamide?
The canonical SMILES for 3,3-difluoro-2-methylprop-2-enamide is CC(C(N)=O)=C(F)F.
What is the InChIKey of 3,3-difluoro-2-methylprop-2-enamide?
The InChIKey is WPIDHKBPPSRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c1-2(3(5)6)4(7)8/h1H3,(H2,7,8).
What are the key properties of 3,3-difluoro-2-methylprop-2-enamide?
3,3-difluoro-2-methylprop-2-enamide has a molecular weight of 121.09 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylprop-2-enamide is sourced from PubChem (CID 139633729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).