2-fluoro-2-methylpent-4-enamide

C6H10FNO — CID 167309544

IUPAC2-fluoro-2-methylpent-4-enamide
SMILESC=CCC(C)(F)C(N)=O
InChIInChI=1S/C6H10FNO/c1-3-4-6(2,7)5(8)9/h3H,1,4H2,2H3,(H2,8,9)
InChIKeyWGBYDTLPKPWHMR-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.78
Rot. Bonds3

About 2-fluoro-2-methylpent-4-enamide

2-fluoro-2-methylpent-4-enamide (PubChem CID 167309544) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-fluoro-2-methylpent-4-enamide.

Molecular Properties

Compound Name2-fluoro-2-methylpent-4-enamide
PubChem CID167309544
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name2-fluoro-2-methylpent-4-enamide
SMILESC=CCC(C)(F)C(N)=O
InChIInChI=1S/C6H10FNO/c1-3-4-6(2,7)5(8)9/h3H,1,4H2,2H3,(H2,8,9)
InChIKeyWGBYDTLPKPWHMR-UHFFFAOYSA-N
XLogP0.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylpent-4-enamide?
The IUPAC name of 2-fluoro-2-methylpent-4-enamide (CID 167309544) is 2-fluoro-2-methylpent-4-enamide.
What is the SMILES notation for 2-fluoro-2-methylpent-4-enamide?
The canonical SMILES for 2-fluoro-2-methylpent-4-enamide is C=CCC(C)(F)C(N)=O.
What is the InChIKey of 2-fluoro-2-methylpent-4-enamide?
The InChIKey is WGBYDTLPKPWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-3-4-6(2,7)5(8)9/h3H,1,4H2,2H3,(H2,8,9).
What are the key properties of 2-fluoro-2-methylpent-4-enamide?
2-fluoro-2-methylpent-4-enamide has a molecular weight of 131.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylpent-4-enamide is sourced from PubChem (CID 167309544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).