N-(4,4-difluoronon-2-enyl)nonanamide

C18H33F2NO — CID 123726190

IUPACN-(4,4-difluoronon-2-enyl)nonanamide
SMILESCCCCCCCCC(=O)NCC=CC(F)(F)CCCCC
InChIInChI=1S/C18H33F2NO/c1-3-5-7-8-9-10-13-17(22)21-16-12-15-18(19,20)14-11-6-4-2/h12,15H,3-11,13-14,16H2,1-2H3,(H,21,22)
InChIKeyLAWOPEHSSLUDGU-UHFFFAOYSA-N
MW317.46 g/mol
LogP5.62
Rot. Bonds14

About N-(4,4-difluoronon-2-enyl)nonanamide

N-(4,4-difluoronon-2-enyl)nonanamide (PubChem CID 123726190) has the molecular formula C18H33F2NO and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(4,4-difluoronon-2-enyl)nonanamide.

Molecular Properties

Compound NameN-(4,4-difluoronon-2-enyl)nonanamide
PubChem CID123726190
Molecular FormulaC18H33F2NO
Molecular Weight317.46 g/mol
Exact Mass317.25
IUPAC NameN-(4,4-difluoronon-2-enyl)nonanamide
SMILESCCCCCCCCC(=O)NCC=CC(F)(F)CCCCC
InChIInChI=1S/C18H33F2NO/c1-3-5-7-8-9-10-13-17(22)21-16-12-15-18(19,20)14-11-6-4-2/h12,15H,3-11,13-14,16H2,1-2H3,(H,21,22)
InChIKeyLAWOPEHSSLUDGU-UHFFFAOYSA-N
XLogP5.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.62
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 N-(4,4-difluoronon-2-enyl)nonanamide?
The IUPAC name of N-(4,4-difluoronon-2-enyl)nonanamide (CID 123726190) is N-(4,4-difluoronon-2-enyl)nonanamide.
What is the SMILES notation for N-(4,4-difluoronon-2-enyl)nonanamide?
The canonical SMILES for N-(4,4-difluoronon-2-enyl)nonanamide is CCCCCCCCC(=O)NCC=CC(F)(F)CCCCC.
What is the InChIKey of N-(4,4-difluoronon-2-enyl)nonanamide?
The InChIKey is LAWOPEHSSLUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F2NO/c1-3-5-7-8-9-10-13-17(22)21-16-12-15-18(19,20)14-11-6-4-2/h12,15H,3-11,13-14,16H2,1-2H3,(H,21,22).
What are the key properties of N-(4,4-difluoronon-2-enyl)nonanamide?
N-(4,4-difluoronon-2-enyl)nonanamide has a molecular weight of 317.46 g/mol, XLogP of 5.62, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoronon-2-enyl)nonanamide is sourced from PubChem (CID 123726190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).