N-acetyl-2,2-difluoro-N-methylacetamide

C5H7F2NO2 — CID 58658233

IUPACN-acetyl-2,2-difluoro-N-methylacetamide
SMILESCC(=O)N(C)C(=O)C(F)F
InChIInChI=1S/C5H7F2NO2/c1-3(9)8(2)5(10)4(6)7/h4H,1-2H3
InChIKeyMGNDOEHWPWCAKA-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.26
Rot. Bonds1

About N-acetyl-2,2-difluoro-N-methylacetamide

N-acetyl-2,2-difluoro-N-methylacetamide (PubChem CID 58658233) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is N-acetyl-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-acetyl-2,2-difluoro-N-methylacetamide
PubChem CID58658233
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC NameN-acetyl-2,2-difluoro-N-methylacetamide
SMILESCC(=O)N(C)C(=O)C(F)F
InChIInChI=1S/C5H7F2NO2/c1-3(9)8(2)5(10)4(6)7/h4H,1-2H3
InChIKeyMGNDOEHWPWCAKA-UHFFFAOYSA-N
XLogP0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-acetyl-2,2-difluoro-N-methylacetamide (CID 58658233) is N-acetyl-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-acetyl-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-acetyl-2,2-difluoro-N-methylacetamide is CC(=O)N(C)C(=O)C(F)F.
What is the InChIKey of N-acetyl-2,2-difluoro-N-methylacetamide?
The InChIKey is MGNDOEHWPWCAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-3(9)8(2)5(10)4(6)7/h4H,1-2H3.
What are the key properties of N-acetyl-2,2-difluoro-N-methylacetamide?
N-acetyl-2,2-difluoro-N-methylacetamide has a molecular weight of 151.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 58658233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).