2-fluoro-N,N-dimethylbutanamide

C6H12FNO — CID 14592376

IUPAC2-fluoro-N,N-dimethylbutanamide
SMILESCCC(F)C(=O)N(C)C
InChIInChI=1S/C6H12FNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3
InChIKeyQHAWZCPVLIEHDV-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.82
Rot. Bonds2

About 2-fluoro-N,N-dimethylbutanamide

2-fluoro-N,N-dimethylbutanamide (PubChem CID 14592376) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethylbutanamide
PubChem CID14592376
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-fluoro-N,N-dimethylbutanamide
SMILESCCC(F)C(=O)N(C)C
InChIInChI=1S/C6H12FNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3
InChIKeyQHAWZCPVLIEHDV-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

2-fluoro-N,N-dimethylpentanamide
CID 135391133
N,N-dimethyl-2-(trifluoromethyl)butanamide
CID 87943851
2-amino-N,N-dimethylbutanamide
CID 43649466
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
silver 2-fluorobutanoate
CID 175008636
potassium 2-fluorobutanoate
CID 168947698
2-fluoro-N,N,3-trimethylbutanamide
CID 130964649
2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
CID 171517264
3,4-difluorohexanoic acid
CID 87326869
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
CID 115589057
2-ethyl-N,N-dimethylhexanamide
CID 3019000

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethylbutanamide?
The IUPAC name of 2-fluoro-N,N-dimethylbutanamide (CID 14592376) is 2-fluoro-N,N-dimethylbutanamide.
What is the SMILES notation for 2-fluoro-N,N-dimethylbutanamide?
The canonical SMILES for 2-fluoro-N,N-dimethylbutanamide is CCC(F)C(=O)N(C)C.
What is the InChIKey of 2-fluoro-N,N-dimethylbutanamide?
The InChIKey is QHAWZCPVLIEHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethylbutanamide?
2-fluoro-N,N-dimethylbutanamide has a molecular weight of 133.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethylbutanamide is sourced from PubChem (CID 14592376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).