5-ethenyl-4-fluoronona-5,7-dienenitrile

C11H14FN — CID 123594319

IUPAC5-ethenyl-4-fluoronona-5,7-dienenitrile
SMILESC=CC(=CC=CC)C(F)CCC#N
InChIInChI=1S/C11H14FN/c1-3-5-7-10(4-2)11(12)8-6-9-13/h3-5,7,11H,2,6,8H2,1H3
InChIKeyRRWNKDVWMVFNTN-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.32
Rot. Bonds5

About 5-ethenyl-4-fluoronona-5,7-dienenitrile

5-ethenyl-4-fluoronona-5,7-dienenitrile (PubChem CID 123594319) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-ethenyl-4-fluoronona-5,7-dienenitrile.

Molecular Properties

Compound Name5-ethenyl-4-fluoronona-5,7-dienenitrile
PubChem CID123594319
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-ethenyl-4-fluoronona-5,7-dienenitrile
SMILESC=CC(=CC=CC)C(F)CCC#N
InChIInChI=1S/C11H14FN/c1-3-5-7-10(4-2)11(12)8-6-9-13/h3-5,7,11H,2,6,8H2,1H3
InChIKeyRRWNKDVWMVFNTN-UHFFFAOYSA-N
XLogP3.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-fluoronona-5,7-dienenitrile?
The IUPAC name of 5-ethenyl-4-fluoronona-5,7-dienenitrile (CID 123594319) is 5-ethenyl-4-fluoronona-5,7-dienenitrile.
What is the SMILES notation for 5-ethenyl-4-fluoronona-5,7-dienenitrile?
The canonical SMILES for 5-ethenyl-4-fluoronona-5,7-dienenitrile is C=CC(=CC=CC)C(F)CCC#N.
What is the InChIKey of 5-ethenyl-4-fluoronona-5,7-dienenitrile?
The InChIKey is RRWNKDVWMVFNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-5-7-10(4-2)11(12)8-6-9-13/h3-5,7,11H,2,6,8H2,1H3.
What are the key properties of 5-ethenyl-4-fluoronona-5,7-dienenitrile?
5-ethenyl-4-fluoronona-5,7-dienenitrile has a molecular weight of 179.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-fluoronona-5,7-dienenitrile is sourced from PubChem (CID 123594319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).