(3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile

C7H6FN — CID 126513418

IUPAC(3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile
SMILESC=C(F)/C=C\C(=C)C#N
InChIInChI=1S/C7H6FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2H2/b4-3-
InChIKeyXSAWWDMMPNZBDX-ARJAWSKDSA-N
MW123.13 g/mol
LogP2.11
Rot. Bonds2

About (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile

(3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile (PubChem CID 126513418) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile
PubChem CID126513418
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Name(3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile
SMILESC=C(F)/C=C\C(=C)C#N
InChIInChI=1S/C7H6FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2H2/b4-3-
InChIKeyXSAWWDMMPNZBDX-ARJAWSKDSA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 52.11
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 (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The IUPAC name of (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile (CID 126513418) is (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile.
What is the SMILES notation for (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The canonical SMILES for (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile is C=C(F)/C=C\C(=C)C#N.
What is the InChIKey of (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The InChIKey is XSAWWDMMPNZBDX-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H6FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2H2/b4-3-.
What are the key properties of (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile?
(3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile has a molecular weight of 123.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-2-methylidenehexa-3,5-dienenitrile is sourced from PubChem (CID 126513418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).