7-cyclohexyl-2-fluorohepta-2,4-dienenitrile

C13H18FN — CID 56632686

IUPAC7-cyclohexyl-2-fluorohepta-2,4-dienenitrile
SMILESN#CC(F)=CC=CCCC1CCCCC1
InChIInChI=1S/C13H18FN/c14-13(11-15)10-6-2-5-9-12-7-3-1-4-8-12/h2,6,10,12H,1,3-5,7-9H2
InChIKeyUOOWLODQANWOEZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP4.28
Rot. Bonds4

About 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile

7-cyclohexyl-2-fluorohepta-2,4-dienenitrile (PubChem CID 56632686) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile.

Molecular Properties

Compound Name7-cyclohexyl-2-fluorohepta-2,4-dienenitrile
PubChem CID56632686
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name7-cyclohexyl-2-fluorohepta-2,4-dienenitrile
SMILESN#CC(F)=CC=CCCC1CCCCC1
InChIInChI=1S/C13H18FN/c14-13(11-15)10-6-2-5-9-12-7-3-1-4-8-12/h2,6,10,12H,1,3-5,7-9H2
InChIKeyUOOWLODQANWOEZ-UHFFFAOYSA-N
XLogP4.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 54.28
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 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile?
The IUPAC name of 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile (CID 56632686) is 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile.
What is the SMILES notation for 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile?
The canonical SMILES for 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile is N#CC(F)=CC=CCCC1CCCCC1.
What is the InChIKey of 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile?
The InChIKey is UOOWLODQANWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13(11-15)10-6-2-5-9-12-7-3-1-4-8-12/h2,6,10,12H,1,3-5,7-9H2.
What are the key properties of 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile?
7-cyclohexyl-2-fluorohepta-2,4-dienenitrile has a molecular weight of 207.29 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-fluorohepta-2,4-dienenitrile is sourced from PubChem (CID 56632686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).