N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide

C14H18F3NO — CID 123996263

IUPACN-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide
SMILESC=C(F)C=C(C(=O)NC1CCCCC1)C(F)=C(C)F
InChIInChI=1S/C14H18F3NO/c1-9(15)8-12(13(17)10(2)16)14(19)18-11-6-4-3-5-7-11/h8,11H,1,3-7H2,2H3,(H,18,19)
InChIKeyOEDCTXFFJZEEAG-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.02
Rot. Bonds4

About N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide

N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide (PubChem CID 123996263) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide
PubChem CID123996263
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide
SMILESC=C(F)C=C(C(=O)NC1CCCCC1)C(F)=C(C)F
InChIInChI=1S/C14H18F3NO/c1-9(15)8-12(13(17)10(2)16)14(19)18-11-6-4-3-5-7-11/h8,11H,1,3-7H2,2H3,(H,18,19)
InChIKeyOEDCTXFFJZEEAG-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide?
The IUPAC name of N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide (CID 123996263) is N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide.
What is the SMILES notation for N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide?
The canonical SMILES for N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide is C=C(F)C=C(C(=O)NC1CCCCC1)C(F)=C(C)F.
What is the InChIKey of N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide?
The InChIKey is OEDCTXFFJZEEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9(15)8-12(13(17)10(2)16)14(19)18-11-6-4-3-5-7-11/h8,11H,1,3-7H2,2H3,(H,18,19).
What are the key properties of N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide?
N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide has a molecular weight of 273.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide is sourced from PubChem (CID 123996263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).