2,2-difluoro-N-methoxy-N-methylpropanamide

C5H9F2NO2 — CID 58736313

IUPAC2,2-difluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-5(6,7)4(9)8(2)10-3/h1-3H3
InChIKeyIOFFSZHUEANECU-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.66
Rot. Bonds2

About 2,2-difluoro-N-methoxy-N-methylpropanamide

2,2-difluoro-N-methoxy-N-methylpropanamide (PubChem CID 58736313) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-N-methylpropanamide
PubChem CID58736313
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2,2-difluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-5(6,7)4(9)8(2)10-3/h1-3H3
InChIKeyIOFFSZHUEANECU-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.66
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-methylpropanamide?
The IUPAC name of 2,2-difluoro-N-methoxy-N-methylpropanamide (CID 58736313) is 2,2-difluoro-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2,2-difluoro-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2,2-difluoro-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxy-N-methylpropanamide?
The InChIKey is IOFFSZHUEANECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-5(6,7)4(9)8(2)10-3/h1-3H3.
What are the key properties of 2,2-difluoro-N-methoxy-N-methylpropanamide?
2,2-difluoro-N-methoxy-N-methylpropanamide has a molecular weight of 153.13 g/mol, XLogP of 0.66, 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-methylpropanamide is sourced from PubChem (CID 58736313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).