(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile

C7H6FN — CID 143547944

IUPAC(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
SMILESC=C/C(C#N)=C\C(=C)F
InChIInChI=1S/C7H6FN/c1-3-7(5-9)4-6(2)8/h3-4H,1-2H2/b7-4+
InChIKeyZVMXIPFLPBIHOA-QPJJXVBHSA-N
MW123.13 g/mol
LogP2.11
Rot. Bonds2

About (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile

(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile (PubChem CID 143547944) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
PubChem CID143547944
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Name(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
SMILESC=C/C(C#N)=C\C(=C)F
InChIInChI=1S/C7H6FN/c1-3-7(5-9)4-6(2)8/h3-4H,1-2H2/b7-4+
InChIKeyZVMXIPFLPBIHOA-QPJJXVBHSA-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

2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446
(2E)-2-ethenyl-4-methylsulfonylpenta-2,4-dienenitrile
CID 122468637
(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
CID 153394347
(2Z)-2-(chloromethylidene)but-3-enenitrile
CID 14047701
2-fluorobuta-1,3-diene
CID 551655
N-prop-1-en-2-ylprop-2-enimidoyl cyanide
CID 143976470
5-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 123637801
3-ethenyl-4-fluorohexa-1,3,5-triene
CID 143823986
(2Z)-2-[fluoro-(methylideneamino)methylidene]but-3-enenitrile
CID 143883028
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
[(3Z,5E)-5-cyanohepta-1,3,5-trien-3-yl]boronic acid
CID 143378126

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile?
The IUPAC name of (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile (CID 143547944) is (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile?
The canonical SMILES for (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile is C=C/C(C#N)=C\C(=C)F.
What is the InChIKey of (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile?
The InChIKey is ZVMXIPFLPBIHOA-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H6FN/c1-3-7(5-9)4-6(2)8/h3-4H,1-2H2/b7-4+.
What are the key properties of (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile?
(2E)-2-ethenyl-4-fluoropenta-2,4-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 (2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile is sourced from PubChem (CID 143547944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).