N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide

C15H28FNO — CID 162387423

IUPACN-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide
SMILESCCCCCCCC(=O)NC/C(F)=C\C(C)(C)C
InChIInChI=1S/C15H28FNO/c1-5-6-7-8-9-10-14(18)17-12-13(16)11-15(2,3)4/h11H,5-10,12H2,1-4H3,(H,17,18)/b13-11+
InChIKeyOIJONDPYJSREBD-ACCUITESSA-N
MW257.39 g/mol
LogP4.36
Rot. Bonds8

About N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide

N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide (PubChem CID 162387423) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide.

Molecular Properties

Compound NameN-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide
PubChem CID162387423
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC NameN-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide
SMILESCCCCCCCC(=O)NC/C(F)=C\C(C)(C)C
InChIInChI=1S/C15H28FNO/c1-5-6-7-8-9-10-14(18)17-12-13(16)11-15(2,3)4/h11H,5-10,12H2,1-4H3,(H,17,18)/b13-11+
InChIKeyOIJONDPYJSREBD-ACCUITESSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 54.36
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-fluoro-4,4-dimethylpent-2-enyl]octanamide?
The IUPAC name of N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide (CID 162387423) is N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide.
What is the SMILES notation for N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide?
The canonical SMILES for N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide is CCCCCCCC(=O)NC/C(F)=C\C(C)(C)C.
What is the InChIKey of N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide?
The InChIKey is OIJONDPYJSREBD-ACCUITESSA-N. The full InChI is InChI=1S/C15H28FNO/c1-5-6-7-8-9-10-14(18)17-12-13(16)11-15(2,3)4/h11H,5-10,12H2,1-4H3,(H,17,18)/b13-11+.
What are the key properties of N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide?
N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide has a molecular weight of 257.39 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-4,4-dimethylpent-2-enyl]octanamide is sourced from PubChem (CID 162387423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).