N-[(E)-2-fluoropent-2-enyl]octanamide

C13H24FNO — CID 166884626

IUPACN-[(E)-2-fluoropent-2-enyl]octanamide
SMILESCC/C=C(/F)CNC(=O)CCCCCCC
InChIInChI=1S/C13H24FNO/c1-3-5-6-7-8-10-13(16)15-11-12(14)9-4-2/h9H,3-8,10-11H2,1-2H3,(H,15,16)/b12-9+
InChIKeyLHNLIICGNIXGCQ-FMIVXFBMSA-N
MW229.34 g/mol
LogP3.73
Rot. Bonds9

About N-[(E)-2-fluoropent-2-enyl]octanamide

N-[(E)-2-fluoropent-2-enyl]octanamide (PubChem CID 166884626) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[(E)-2-fluoropent-2-enyl]octanamide.

Molecular Properties

Compound NameN-[(E)-2-fluoropent-2-enyl]octanamide
PubChem CID166884626
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC NameN-[(E)-2-fluoropent-2-enyl]octanamide
SMILESCC/C=C(/F)CNC(=O)CCCCCCC
InChIInChI=1S/C13H24FNO/c1-3-5-6-7-8-10-13(16)15-11-12(14)9-4-2/h9H,3-8,10-11H2,1-2H3,(H,15,16)/b12-9+
InChIKeyLHNLIICGNIXGCQ-FMIVXFBMSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoropent-2-enyl]octanamide?
The IUPAC name of N-[(E)-2-fluoropent-2-enyl]octanamide (CID 166884626) is N-[(E)-2-fluoropent-2-enyl]octanamide.
What is the SMILES notation for N-[(E)-2-fluoropent-2-enyl]octanamide?
The canonical SMILES for N-[(E)-2-fluoropent-2-enyl]octanamide is CC/C=C(/F)CNC(=O)CCCCCCC.
What is the InChIKey of N-[(E)-2-fluoropent-2-enyl]octanamide?
The InChIKey is LHNLIICGNIXGCQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H24FNO/c1-3-5-6-7-8-10-13(16)15-11-12(14)9-4-2/h9H,3-8,10-11H2,1-2H3,(H,15,16)/b12-9+.
What are the key properties of N-[(E)-2-fluoropent-2-enyl]octanamide?
N-[(E)-2-fluoropent-2-enyl]octanamide has a molecular weight of 229.34 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoropent-2-enyl]octanamide is sourced from PubChem (CID 166884626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).