2-fluoro-N-methyl-N-prop-2-enylbutanamide

C8H14FNO — CID 90392547

IUPAC2-fluoro-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)C(F)CC
InChIInChI=1S/C8H14FNO/c1-4-6-10(3)8(11)7(9)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyOWFOCONKLXJHBB-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.38
Rot. Bonds4

About 2-fluoro-N-methyl-N-prop-2-enylbutanamide

2-fluoro-N-methyl-N-prop-2-enylbutanamide (PubChem CID 90392547) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-prop-2-enylbutanamide
PubChem CID90392547
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)C(F)CC
InChIInChI=1S/C8H14FNO/c1-4-6-10(3)8(11)7(9)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyOWFOCONKLXJHBB-UHFFFAOYSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
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-N-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-fluoro-N-methyl-N-prop-2-enylbutanamide (CID 90392547) is 2-fluoro-N-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-fluoro-N-methyl-N-prop-2-enylbutanamide is C=CCN(C)C(=O)C(F)CC.
What is the InChIKey of 2-fluoro-N-methyl-N-prop-2-enylbutanamide?
The InChIKey is OWFOCONKLXJHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-6-10(3)8(11)7(9)5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-fluoro-N-methyl-N-prop-2-enylbutanamide?
2-fluoro-N-methyl-N-prop-2-enylbutanamide has a molecular weight of 159.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 90392547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).