2-fluoro-N-hex-5-enyl-N-methylacetamide

C9H16FNO — CID 88849060

IUPAC2-fluoro-N-hex-5-enyl-N-methylacetamide
SMILESC=CCCCCN(C)C(=O)CF
InChIInChI=1S/C9H16FNO/c1-3-4-5-6-7-11(2)9(12)8-10/h3H,1,4-8H2,2H3
InChIKeyAGXFXEQIRGPVFJ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.77
Rot. Bonds6

About 2-fluoro-N-hex-5-enyl-N-methylacetamide

2-fluoro-N-hex-5-enyl-N-methylacetamide (PubChem CID 88849060) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoro-N-hex-5-enyl-N-methylacetamide.

Molecular Properties

Compound Name2-fluoro-N-hex-5-enyl-N-methylacetamide
PubChem CID88849060
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-fluoro-N-hex-5-enyl-N-methylacetamide
SMILESC=CCCCCN(C)C(=O)CF
InChIInChI=1S/C9H16FNO/c1-3-4-5-6-7-11(2)9(12)8-10/h3H,1,4-8H2,2H3
InChIKeyAGXFXEQIRGPVFJ-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 2-fluoro-N-hex-5-enyl-N-methylacetamide?
The IUPAC name of 2-fluoro-N-hex-5-enyl-N-methylacetamide (CID 88849060) is 2-fluoro-N-hex-5-enyl-N-methylacetamide.
What is the SMILES notation for 2-fluoro-N-hex-5-enyl-N-methylacetamide?
The canonical SMILES for 2-fluoro-N-hex-5-enyl-N-methylacetamide is C=CCCCCN(C)C(=O)CF.
What is the InChIKey of 2-fluoro-N-hex-5-enyl-N-methylacetamide?
The InChIKey is AGXFXEQIRGPVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-4-5-6-7-11(2)9(12)8-10/h3H,1,4-8H2,2H3.
What are the key properties of 2-fluoro-N-hex-5-enyl-N-methylacetamide?
2-fluoro-N-hex-5-enyl-N-methylacetamide 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 2-fluoro-N-hex-5-enyl-N-methylacetamide is sourced from PubChem (CID 88849060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).