4,4-difluoropentanamide

C5H9F2NO — CID 87189614

IUPAC4,4-difluoropentanamide
SMILESCC(F)(F)CCC(N)=O
InChIInChI=1S/C5H9F2NO/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H2,8,9)
InChIKeySLTOEKOBIVOSFK-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.91
Rot. Bonds3

About 4,4-difluoropentanamide

4,4-difluoropentanamide (PubChem CID 87189614) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 4,4-difluoropentanamide.

Molecular Properties

Compound Name4,4-difluoropentanamide
PubChem CID87189614
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name4,4-difluoropentanamide
SMILESCC(F)(F)CCC(N)=O
InChIInChI=1S/C5H9F2NO/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H2,8,9)
InChIKeySLTOEKOBIVOSFK-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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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropentanamide?
The IUPAC name of 4,4-difluoropentanamide (CID 87189614) is 4,4-difluoropentanamide.
What is the SMILES notation for 4,4-difluoropentanamide?
The canonical SMILES for 4,4-difluoropentanamide is CC(F)(F)CCC(N)=O.
What is the InChIKey of 4,4-difluoropentanamide?
The InChIKey is SLTOEKOBIVOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H2,8,9).
What are the key properties of 4,4-difluoropentanamide?
4,4-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 4,4-difluoropentanamide is sourced from PubChem (CID 87189614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).