2,2-difluoro-4-methylpentanamide

C6H11F2NO — CID 59458808

IUPAC2,2-difluoro-4-methylpentanamide
SMILESCC(C)CC(F)(F)C(N)=O
InChIInChI=1S/C6H11F2NO/c1-4(2)3-6(7,8)5(9)10/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyLDMIKYJRTZDIND-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.15
Rot. Bonds3

About 2,2-difluoro-4-methylpentanamide

2,2-difluoro-4-methylpentanamide (PubChem CID 59458808) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2,2-difluoro-4-methylpentanamide.

Molecular Properties

Compound Name2,2-difluoro-4-methylpentanamide
PubChem CID59458808
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2,2-difluoro-4-methylpentanamide
SMILESCC(C)CC(F)(F)C(N)=O
InChIInChI=1S/C6H11F2NO/c1-4(2)3-6(7,8)5(9)10/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyLDMIKYJRTZDIND-UHFFFAOYSA-N
XLogP1.15
TPSA43.09 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methylpentanamide?
The IUPAC name of 2,2-difluoro-4-methylpentanamide (CID 59458808) is 2,2-difluoro-4-methylpentanamide.
What is the SMILES notation for 2,2-difluoro-4-methylpentanamide?
The canonical SMILES for 2,2-difluoro-4-methylpentanamide is CC(C)CC(F)(F)C(N)=O.
What is the InChIKey of 2,2-difluoro-4-methylpentanamide?
The InChIKey is LDMIKYJRTZDIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-4(2)3-6(7,8)5(9)10/h4H,3H2,1-2H3,(H2,9,10).
What are the key properties of 2,2-difluoro-4-methylpentanamide?
2,2-difluoro-4-methylpentanamide has a molecular weight of 151.16 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methylpentanamide is sourced from PubChem (CID 59458808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).