(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile

C7H7FN2 — CID 143935437

IUPAC(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile
SMILESC=C/C(N)=C(/C#N)C(=C)F
InChIInChI=1S/C7H7FN2/c1-3-7(10)6(4-9)5(2)8/h3H,1-2,10H2/b7-6+
InChIKeyHYXFCXWFYLHXKN-VOTSOKGWSA-N
MW138.14 g/mol
LogP1.39
Rot. Bonds2

About (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile

(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile (PubChem CID 143935437) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile
PubChem CID143935437
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile
SMILESC=C/C(N)=C(/C#N)C(=C)F
InChIInChI=1S/C7H7FN2/c1-3-7(10)6(4-9)5(2)8/h3H,1-2,10H2/b7-6+
InChIKeyHYXFCXWFYLHXKN-VOTSOKGWSA-N
XLogP1.39
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile?
The IUPAC name of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile (CID 143935437) is (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile?
The canonical SMILES for (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile is C=C/C(N)=C(/C#N)C(=C)F.
What is the InChIKey of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile?
The InChIKey is HYXFCXWFYLHXKN-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H7FN2/c1-3-7(10)6(4-9)5(2)8/h3H,1-2,10H2/b7-6+.
What are the key properties of (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile?
(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile has a molecular weight of 138.14 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienenitrile is sourced from PubChem (CID 143935437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).