3-fluoro-4-methylpent-3-enamide

C6H10FNO — CID 57118044

IUPAC3-fluoro-4-methylpent-3-enamide
SMILESCC(C)=C(F)CC(N)=O
InChIInChI=1S/C6H10FNO/c1-4(2)5(7)3-6(8)9/h3H2,1-2H3,(H2,8,9)
InChIKeyZZLGMOFBQGPYIY-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.13
Rot. Bonds2

About 3-fluoro-4-methylpent-3-enamide

3-fluoro-4-methylpent-3-enamide (PubChem CID 57118044) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoro-4-methylpent-3-enamide.

Molecular Properties

Compound Name3-fluoro-4-methylpent-3-enamide
PubChem CID57118044
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoro-4-methylpent-3-enamide
SMILESCC(C)=C(F)CC(N)=O
InChIInChI=1S/C6H10FNO/c1-4(2)5(7)3-6(8)9/h3H2,1-2H3,(H2,8,9)
InChIKeyZZLGMOFBQGPYIY-UHFFFAOYSA-N
XLogP1.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpent-3-enamide?
The IUPAC name of 3-fluoro-4-methylpent-3-enamide (CID 57118044) is 3-fluoro-4-methylpent-3-enamide.
What is the SMILES notation for 3-fluoro-4-methylpent-3-enamide?
The canonical SMILES for 3-fluoro-4-methylpent-3-enamide is CC(C)=C(F)CC(N)=O.
What is the InChIKey of 3-fluoro-4-methylpent-3-enamide?
The InChIKey is ZZLGMOFBQGPYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4(2)5(7)3-6(8)9/h3H2,1-2H3,(H2,8,9).
What are the key properties of 3-fluoro-4-methylpent-3-enamide?
3-fluoro-4-methylpent-3-enamide has a molecular weight of 131.15 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpent-3-enamide is sourced from PubChem (CID 57118044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).