3,3-difluoro-N-methoxy-2,2-dimethylpropanamide

C6H11F2NO2 — CID 130779665

IUPAC3,3-difluoro-N-methoxy-2,2-dimethylpropanamide
SMILESCONC(=O)C(C)(C)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,4(7)8)5(10)9-11-3/h4H,1-3H3,(H,9,10)
InChIKeyCHHKNOFRTGFKDS-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.96
Rot. Bonds3

About 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide

3,3-difluoro-N-methoxy-2,2-dimethylpropanamide (PubChem CID 130779665) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-N-methoxy-2,2-dimethylpropanamide
PubChem CID130779665
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name3,3-difluoro-N-methoxy-2,2-dimethylpropanamide
SMILESCONC(=O)C(C)(C)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,4(7)8)5(10)9-11-3/h4H,1-3H3,(H,9,10)
InChIKeyCHHKNOFRTGFKDS-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
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 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide?
The IUPAC name of 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide (CID 130779665) is 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide is CONC(=O)C(C)(C)C(F)F.
What is the InChIKey of 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide?
The InChIKey is CHHKNOFRTGFKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-6(2,4(7)8)5(10)9-11-3/h4H,1-3H3,(H,9,10).
What are the key properties of 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide?
3,3-difluoro-N-methoxy-2,2-dimethylpropanamide has a molecular weight of 167.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 130779665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).