5-fluoro-2-methylidenehexa-3,5-dienenitrile

C7H6FN — CID 123637801

IUPAC5-fluoro-2-methylidenehexa-3,5-dienenitrile
SMILESC=C(F)C=CC(=C)C#N
InChIInChI=1S/C7H6FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2H2
InChIKeyXSAWWDMMPNZBDX-UHFFFAOYSA-N
MW123.13 g/mol
LogP2.11
Rot. Bonds2

About 5-fluoro-2-methylidenehexa-3,5-dienenitrile

5-fluoro-2-methylidenehexa-3,5-dienenitrile (PubChem CID 123637801) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is 5-fluoro-2-methylidenehexa-3,5-dienenitrile.

Molecular Properties

Compound Name5-fluoro-2-methylidenehexa-3,5-dienenitrile
PubChem CID123637801
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Name5-fluoro-2-methylidenehexa-3,5-dienenitrile
SMILESC=C(F)C=CC(=C)C#N
InChIInChI=1S/C7H6FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2H2
InChIKeyXSAWWDMMPNZBDX-UHFFFAOYSA-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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Related Compounds

(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 144813060
(3Z,5E)-7-fluoro-2-methylidene-5-nitrohepta-3,5-dienenitrile
CID 118130146
(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
CID 123508505
(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685434
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile
CID 126690460
(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
CID 142297576
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685433
(3Z)-5-(4-hydroxy-2-methylphenyl)-2-methylidenehexa-3,5-dienenitrile
CID 144813061
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The IUPAC name of 5-fluoro-2-methylidenehexa-3,5-dienenitrile (CID 123637801) is 5-fluoro-2-methylidenehexa-3,5-dienenitrile.
What is the SMILES notation for 5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The canonical SMILES for 5-fluoro-2-methylidenehexa-3,5-dienenitrile is C=C(F)C=CC(=C)C#N.
What is the InChIKey of 5-fluoro-2-methylidenehexa-3,5-dienenitrile?
The InChIKey is XSAWWDMMPNZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2H2.
What are the key properties of 5-fluoro-2-methylidenehexa-3,5-dienenitrile?
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 5-fluoro-2-methylidenehexa-3,5-dienenitrile is sourced from PubChem (CID 123637801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).