2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide

C14H26FNO — CID 146578016

IUPAC2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide
SMILESC=CCCCCCC(C)(F)C(=O)NCC(C)C
InChIInChI=1S/C14H26FNO/c1-5-6-7-8-9-10-14(4,15)13(17)16-11-12(2)3/h5,12H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyDZPQIIWFISAANO-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.62
Rot. Bonds9

About 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide

2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide (PubChem CID 146578016) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide
PubChem CID146578016
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide
SMILESC=CCCCCCC(C)(F)C(=O)NCC(C)C
InChIInChI=1S/C14H26FNO/c1-5-6-7-8-9-10-14(4,15)13(17)16-11-12(2)3/h5,12H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyDZPQIIWFISAANO-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
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-2-methyl-N-(2-methylpropyl)non-8-enamide?
The IUPAC name of 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide (CID 146578016) is 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide is C=CCCCCCC(C)(F)C(=O)NCC(C)C.
What is the InChIKey of 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide?
The InChIKey is DZPQIIWFISAANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-5-6-7-8-9-10-14(4,15)13(17)16-11-12(2)3/h5,12H,1,6-11H2,2-4H3,(H,16,17).
What are the key properties of 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide?
2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide has a molecular weight of 243.37 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide is sourced from PubChem (CID 146578016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).