2,2-difluoropentanamide

C5H9F2NO — CID 54013226

IUPAC2,2-difluoropentanamide
SMILESCCCC(F)(F)C(N)=O
InChIInChI=1S/C5H9F2NO/c1-2-3-5(6,7)4(8)9/h2-3H2,1H3,(H2,8,9)
InChIKeyKTVKSVYWPVXDRD-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.91
Rot. Bonds3

About 2,2-difluoropentanamide

2,2-difluoropentanamide (PubChem CID 54013226) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 2,2-difluoropentanamide.

Molecular Properties

Compound Name2,2-difluoropentanamide
PubChem CID54013226
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name2,2-difluoropentanamide
SMILESCCCC(F)(F)C(N)=O
InChIInChI=1S/C5H9F2NO/c1-2-3-5(6,7)4(8)9/h2-3H2,1H3,(H2,8,9)
InChIKeyKTVKSVYWPVXDRD-UHFFFAOYSA-N
XLogP0.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoropentanamide
CID 2063303
4,4,5,5,5-Pentafluoropentanamide
CID 54092366
N-(trifluoromethyl)pentanamide
CID 21660037
(2S,3R)-2,3-difluorohexanamide
CID 155931762
N,2,2-trifluorohexanamide
CID 21140245
2,5-Difluoropentanamide
CID 21899023
N,2,2-trifluoropentanamide
CID 22216352
5-Fluoropentanamide
CID 53961116
2,2,3-Trifluorobutanamide
CID 54126373
2-Fluoropentanamide
CID 55290464
2-Fluorohexanamide
CID 55291016
2,2-Difluoro-4-methylpentanamide
CID 59458808

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropentanamide?
The IUPAC name of 2,2-difluoropentanamide (CID 54013226) is 2,2-difluoropentanamide.
What is the SMILES notation for 2,2-difluoropentanamide?
The canonical SMILES for 2,2-difluoropentanamide is CCCC(F)(F)C(N)=O.
What is the InChIKey of 2,2-difluoropentanamide?
The InChIKey is KTVKSVYWPVXDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-2-3-5(6,7)4(8)9/h2-3H2,1H3,(H2,8,9).
What are the key properties of 2,2-difluoropentanamide?
2,2-difluoropentanamide has a molecular weight of 137.13 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropentanamide is sourced from PubChem (CID 54013226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).