(5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile

C11H14FN — CID 118362840

IUPAC(5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile
SMILESC=C/C(=C\C=C/C)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/b5-3-,10-7+
InChIKeyRRWNKDVWMVFNTN-ZMSZASLQSA-N
MW179.24 g/mol
LogP3.32
Rot. Bonds5

About (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile

(5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile (PubChem CID 118362840) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile.

Molecular Properties

Compound Name(5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile
PubChem CID118362840
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile
SMILESC=C/C(=C\C=C/C)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/b5-3-,10-7+
InChIKeyRRWNKDVWMVFNTN-ZMSZASLQSA-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 (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile?
The IUPAC name of (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile (CID 118362840) is (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile.
What is the SMILES notation for (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile?
The canonical SMILES for (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile is C=C/C(=C\C=C/C)C(F)CCC#N.
What is the InChIKey of (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile?
The InChIKey is RRWNKDVWMVFNTN-ZMSZASLQSA-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/b5-3-,10-7+.
What are the key properties of (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile?
(5E,7Z)-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 (5E,7Z)-5-ethenyl-4-fluoronona-5,7-dienenitrile is sourced from PubChem (CID 118362840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).