2-fluoro-N-methyl-N-prop-2-enylpentanamide

C9H16FNO — CID 135391097

IUPAC2-fluoro-N-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(C)C(=O)C(F)CCC
InChIInChI=1S/C9H16FNO/c1-4-6-8(10)9(12)11(3)7-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyLIHAFTULCXGHIF-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.77
Rot. Bonds5

About 2-fluoro-N-methyl-N-prop-2-enylpentanamide

2-fluoro-N-methyl-N-prop-2-enylpentanamide (PubChem CID 135391097) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-prop-2-enylpentanamide
PubChem CID135391097
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-fluoro-N-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(C)C(=O)C(F)CCC
InChIInChI=1S/C9H16FNO/c1-4-6-8(10)9(12)11(3)7-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyLIHAFTULCXGHIF-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.77
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-enylpentanamide?
The IUPAC name of 2-fluoro-N-methyl-N-prop-2-enylpentanamide (CID 135391097) is 2-fluoro-N-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-fluoro-N-methyl-N-prop-2-enylpentanamide is C=CCN(C)C(=O)C(F)CCC.
What is the InChIKey of 2-fluoro-N-methyl-N-prop-2-enylpentanamide?
The InChIKey is LIHAFTULCXGHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-4-6-8(10)9(12)11(3)7-5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 2-fluoro-N-methyl-N-prop-2-enylpentanamide?
2-fluoro-N-methyl-N-prop-2-enylpentanamide has a molecular weight of 173.23 g/mol, XLogP of 1.77, 5 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-enylpentanamide is sourced from PubChem (CID 135391097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).