4,4-difluoro-N-methylpentanamide

C6H11F2NO — CID 131131504

IUPAC4,4-difluoro-N-methylpentanamide
SMILESCNC(=O)CCC(C)(F)F
InChIInChI=1S/C6H11F2NO/c1-6(7,8)4-3-5(10)9-2/h3-4H2,1-2H3,(H,9,10)
InChIKeyQUIJRPRGCYWGHC-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.17
Rot. Bonds3

About 4,4-difluoro-N-methylpentanamide

4,4-difluoro-N-methylpentanamide (PubChem CID 131131504) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 4,4-difluoro-N-methylpentanamide.

Molecular Properties

Compound Name4,4-difluoro-N-methylpentanamide
PubChem CID131131504
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name4,4-difluoro-N-methylpentanamide
SMILESCNC(=O)CCC(C)(F)F
InChIInChI=1S/C6H11F2NO/c1-6(7,8)4-3-5(10)9-2/h3-4H2,1-2H3,(H,9,10)
InChIKeyQUIJRPRGCYWGHC-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methylpentanamide?
The IUPAC name of 4,4-difluoro-N-methylpentanamide (CID 131131504) is 4,4-difluoro-N-methylpentanamide.
What is the SMILES notation for 4,4-difluoro-N-methylpentanamide?
The canonical SMILES for 4,4-difluoro-N-methylpentanamide is CNC(=O)CCC(C)(F)F.
What is the InChIKey of 4,4-difluoro-N-methylpentanamide?
The InChIKey is QUIJRPRGCYWGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-6(7,8)4-3-5(10)9-2/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 4,4-difluoro-N-methylpentanamide?
4,4-difluoro-N-methylpentanamide has a molecular weight of 151.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methylpentanamide is sourced from PubChem (CID 131131504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).