4-fluoro-N,N-dimethylbutanamide

C6H12FNO — CID 163639971

IUPAC4-fluoro-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCF
InChIInChI=1S/C6H12FNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3
InChIKeyIDKFIYARQSBVSM-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.82
Rot. Bonds3

About 4-fluoro-N,N-dimethylbutanamide

4-fluoro-N,N-dimethylbutanamide (PubChem CID 163639971) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethylbutanamide
PubChem CID163639971
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-fluoro-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCF
InChIInChI=1S/C6H12FNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3
InChIKeyIDKFIYARQSBVSM-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethylbutanamide?
The IUPAC name of 4-fluoro-N,N-dimethylbutanamide (CID 163639971) is 4-fluoro-N,N-dimethylbutanamide.
What is the SMILES notation for 4-fluoro-N,N-dimethylbutanamide?
The canonical SMILES for 4-fluoro-N,N-dimethylbutanamide is CN(C)C(=O)CCCF.
What is the InChIKey of 4-fluoro-N,N-dimethylbutanamide?
The InChIKey is IDKFIYARQSBVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethylbutanamide?
4-fluoro-N,N-dimethylbutanamide has a molecular weight of 133.17 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethylbutanamide is sourced from PubChem (CID 163639971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).