5-cyclohexyl-2-fluoropenta-2,4-dienenitrile

C11H14FN — CID 56620128

IUPAC5-cyclohexyl-2-fluoropenta-2,4-dienenitrile
SMILESN#CC(F)=CC=CC1CCCCC1
InChIInChI=1S/C11H14FN/c12-11(9-13)8-4-7-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6H2
InChIKeyJHZGYPZOXGDJLS-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.50
Rot. Bonds2

About 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile

5-cyclohexyl-2-fluoropenta-2,4-dienenitrile (PubChem CID 56620128) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile.

Molecular Properties

Compound Name5-cyclohexyl-2-fluoropenta-2,4-dienenitrile
PubChem CID56620128
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-cyclohexyl-2-fluoropenta-2,4-dienenitrile
SMILESN#CC(F)=CC=CC1CCCCC1
InChIInChI=1S/C11H14FN/c12-11(9-13)8-4-7-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6H2
InChIKeyJHZGYPZOXGDJLS-UHFFFAOYSA-N
XLogP3.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile?
The IUPAC name of 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile (CID 56620128) is 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile.
What is the SMILES notation for 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile?
The canonical SMILES for 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile is N#CC(F)=CC=CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile?
The InChIKey is JHZGYPZOXGDJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-11(9-13)8-4-7-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6H2.
What are the key properties of 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile?
5-cyclohexyl-2-fluoropenta-2,4-dienenitrile has a molecular weight of 179.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-fluoropenta-2,4-dienenitrile is sourced from PubChem (CID 56620128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).