2-fluoro-N,3-dimethylbutanamide

C6H12FNO — CID 131201371

IUPAC2-fluoro-N,3-dimethylbutanamide
SMILESCNC(=O)C(F)C(C)C
InChIInChI=1S/C6H12FNO/c1-4(2)5(7)6(9)8-3/h4-5H,1-3H3,(H,8,9)
InChIKeyMNXNPFKWTLOUJN-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.73
Rot. Bonds2

About 2-fluoro-N,3-dimethylbutanamide

2-fluoro-N,3-dimethylbutanamide (PubChem CID 131201371) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-fluoro-N,3-dimethylbutanamide
PubChem CID131201371
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-fluoro-N,3-dimethylbutanamide
SMILESCNC(=O)C(F)C(C)C
InChIInChI=1S/C6H12FNO/c1-4(2)5(7)6(9)8-3/h4-5H,1-3H3,(H,8,9)
InChIKeyMNXNPFKWTLOUJN-UHFFFAOYSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbutanamide
CID 28774
N,3,3-trimethylbutanamide
CID 2795132
N-Methylisobutyramide
CID 221961
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CID 528616
Butyramide, 2-ethyl-N-methyl-
CID 226198
N-methyl-2-fluoropropanamide
CID 55288492
2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide
CID 138975393
4-fluoro-N,4-dimethylpentanamide
CID 162409074
2-fluoro-N-(3-methylbutyl)acetamide
CID 10034764
3-Methyl-4-(methylamino)-4-oxobutanoyl fluoride
CID 20695612
3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 21018647
4,4,4-trifluoro-N,2-dimethylbutanamide
CID 23548713

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,3-dimethylbutanamide?
The IUPAC name of 2-fluoro-N,3-dimethylbutanamide (CID 131201371) is 2-fluoro-N,3-dimethylbutanamide.
What is the SMILES notation for 2-fluoro-N,3-dimethylbutanamide?
The canonical SMILES for 2-fluoro-N,3-dimethylbutanamide is CNC(=O)C(F)C(C)C.
What is the InChIKey of 2-fluoro-N,3-dimethylbutanamide?
The InChIKey is MNXNPFKWTLOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4(2)5(7)6(9)8-3/h4-5H,1-3H3,(H,8,9).
What are the key properties of 2-fluoro-N,3-dimethylbutanamide?
2-fluoro-N,3-dimethylbutanamide has a molecular weight of 133.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethylbutanamide is sourced from PubChem (CID 131201371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).