4-fluoro-4-methylpentanamide

C6H12FNO — CID 154454510

IUPAC4-fluoro-4-methylpentanamide
SMILESCC(C)(F)CCC(N)=O
InChIInChI=1S/C6H12FNO/c1-6(2,7)4-3-5(8)9/h3-4H2,1-2H3,(H2,8,9)
InChIKeyRDNNGIPDHBDIRG-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.00
Rot. Bonds3

About 4-fluoro-4-methylpentanamide

4-fluoro-4-methylpentanamide (PubChem CID 154454510) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-fluoro-4-methylpentanamide.

Molecular Properties

Compound Name4-fluoro-4-methylpentanamide
PubChem CID154454510
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-fluoro-4-methylpentanamide
SMILESCC(C)(F)CCC(N)=O
InChIInChI=1S/C6H12FNO/c1-6(2,7)4-3-5(8)9/h3-4H2,1-2H3,(H2,8,9)
InChIKeyRDNNGIPDHBDIRG-UHFFFAOYSA-N
XLogP1.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylpentanamide?
The IUPAC name of 4-fluoro-4-methylpentanamide (CID 154454510) is 4-fluoro-4-methylpentanamide.
What is the SMILES notation for 4-fluoro-4-methylpentanamide?
The canonical SMILES for 4-fluoro-4-methylpentanamide is CC(C)(F)CCC(N)=O.
What is the InChIKey of 4-fluoro-4-methylpentanamide?
The InChIKey is RDNNGIPDHBDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(2,7)4-3-5(8)9/h3-4H2,1-2H3,(H2,8,9).
What are the key properties of 4-fluoro-4-methylpentanamide?
4-fluoro-4-methylpentanamide has a molecular weight of 133.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylpentanamide is sourced from PubChem (CID 154454510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).