4-fluoro-2,2-dimethylbutanamide

C6H12FNO — CID 87253851

IUPAC4-fluoro-2,2-dimethylbutanamide
SMILESCC(C)(CCF)C(N)=O
InChIInChI=1S/C6H12FNO/c1-6(2,3-4-7)5(8)9/h3-4H2,1-2H3,(H2,8,9)
InChIKeyMOMNSVHBTPDKJZ-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.86
Rot. Bonds3

About 4-fluoro-2,2-dimethylbutanamide

4-fluoro-2,2-dimethylbutanamide (PubChem CID 87253851) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-fluoro-2,2-dimethylbutanamide
PubChem CID87253851
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-fluoro-2,2-dimethylbutanamide
SMILESCC(C)(CCF)C(N)=O
InChIInChI=1S/C6H12FNO/c1-6(2,3-4-7)5(8)9/h3-4H2,1-2H3,(H2,8,9)
InChIKeyMOMNSVHBTPDKJZ-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethylbutanamide?
The IUPAC name of 4-fluoro-2,2-dimethylbutanamide (CID 87253851) is 4-fluoro-2,2-dimethylbutanamide.
What is the SMILES notation for 4-fluoro-2,2-dimethylbutanamide?
The canonical SMILES for 4-fluoro-2,2-dimethylbutanamide is CC(C)(CCF)C(N)=O.
What is the InChIKey of 4-fluoro-2,2-dimethylbutanamide?
The InChIKey is MOMNSVHBTPDKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(2,3-4-7)5(8)9/h3-4H2,1-2H3,(H2,8,9).
What are the key properties of 4-fluoro-2,2-dimethylbutanamide?
4-fluoro-2,2-dimethylbutanamide has a molecular weight of 133.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethylbutanamide is sourced from PubChem (CID 87253851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).