4-fluoro-N,4-dimethylpentanamide

C7H14FNO — CID 162409074

IUPAC4-fluoro-N,4-dimethylpentanamide
SMILESCNC(=O)CCC(C)(C)F
InChIInChI=1S/C7H14FNO/c1-7(2,8)5-4-6(10)9-3/h4-5H2,1-3H3,(H,9,10)
InChIKeyIQAIHNYOXNGBBV-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.26
Rot. Bonds3

About 4-fluoro-N,4-dimethylpentanamide

4-fluoro-N,4-dimethylpentanamide (PubChem CID 162409074) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-fluoro-N,4-dimethylpentanamide.

Molecular Properties

Compound Name4-fluoro-N,4-dimethylpentanamide
PubChem CID162409074
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-fluoro-N,4-dimethylpentanamide
SMILESCNC(=O)CCC(C)(C)F
InChIInChI=1S/C7H14FNO/c1-7(2,8)5-4-6(10)9-3/h4-5H2,1-3H3,(H,9,10)
InChIKeyIQAIHNYOXNGBBV-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,4-dimethylpentanamide?
The IUPAC name of 4-fluoro-N,4-dimethylpentanamide (CID 162409074) is 4-fluoro-N,4-dimethylpentanamide.
What is the SMILES notation for 4-fluoro-N,4-dimethylpentanamide?
The canonical SMILES for 4-fluoro-N,4-dimethylpentanamide is CNC(=O)CCC(C)(C)F.
What is the InChIKey of 4-fluoro-N,4-dimethylpentanamide?
The InChIKey is IQAIHNYOXNGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(2,8)5-4-6(10)9-3/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 4-fluoro-N,4-dimethylpentanamide?
4-fluoro-N,4-dimethylpentanamide has a molecular weight of 147.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,4-dimethylpentanamide is sourced from PubChem (CID 162409074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).