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

C9H16FNO — CID 22975875

IUPAC5-fluoro-N-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(C)C(=O)CCCCF
InChIInChI=1S/C9H16FNO/c1-3-8-11(2)9(12)6-4-5-7-10/h3H,1,4-8H2,2H3
InChIKeyFIZKJIOIZKISNB-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.77
Rot. Bonds6

About 5-fluoro-N-methyl-N-prop-2-enylpentanamide

5-fluoro-N-methyl-N-prop-2-enylpentanamide (PubChem CID 22975875) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-prop-2-enylpentanamide
PubChem CID22975875
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name5-fluoro-N-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(C)C(=O)CCCCF
InChIInChI=1S/C9H16FNO/c1-3-8-11(2)9(12)6-4-5-7-10/h3H,1,4-8H2,2H3
InChIKeyFIZKJIOIZKISNB-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-prop-2-enylpentanamide?
The IUPAC name of 5-fluoro-N-methyl-N-prop-2-enylpentanamide (CID 22975875) is 5-fluoro-N-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for 5-fluoro-N-methyl-N-prop-2-enylpentanamide is C=CCN(C)C(=O)CCCCF.
What is the InChIKey of 5-fluoro-N-methyl-N-prop-2-enylpentanamide?
The InChIKey is FIZKJIOIZKISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-8-11(2)9(12)6-4-5-7-10/h3H,1,4-8H2,2H3.
What are the key properties of 5-fluoro-N-methyl-N-prop-2-enylpentanamide?
5-fluoro-N-methyl-N-prop-2-enylpentanamide has a molecular weight of 173.23 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 22975875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).