(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile

C8H9FN2 — CID 123821610

IUPAC(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile
SMILESC=C(F)/C(C#N)=C\C(C)=N\C
InChIInChI=1S/C8H9FN2/c1-6(11-3)4-8(5-10)7(2)9/h4H,2H2,1,3H3/b8-4-,11-6+
InChIKeyBSYKXDGPLGMAAL-NOSMKPSFSA-N
MW152.17 g/mol
LogP2.01
Rot. Bonds2

About (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile

(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile (PubChem CID 123821610) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile
PubChem CID123821610
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile
SMILESC=C(F)/C(C#N)=C\C(C)=N\C
InChIInChI=1S/C8H9FN2/c1-6(11-3)4-8(5-10)7(2)9/h4H,2H2,1,3H3/b8-4-,11-6+
InChIKeyBSYKXDGPLGMAAL-NOSMKPSFSA-N
XLogP2.01
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 170019336
(E)-4-[(1E,3E,5E)-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]iminopent-2-enenitrile
CID 144726168
6-fluoro-3,7-dimethyl-2H-azepine-5-carbonitrile
CID 144947229
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
CID 123676535
(2E)-2-(C,N-dimethylcarbonimidoyl)-4-methylpenta-2,4-dienenitrile
CID 139385990
(Z)-N,3-dimethylpent-2-enimidoyl cyanide
CID 142029984
(E)-2-ethenyl-4-propan-2-yliminopent-2-enenitrile
CID 144136620

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile?
The IUPAC name of (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile (CID 123821610) is (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile.
What is the SMILES notation for (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile?
The canonical SMILES for (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile is C=C(F)/C(C#N)=C\C(C)=N\C.
What is the InChIKey of (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile?
The InChIKey is BSYKXDGPLGMAAL-NOSMKPSFSA-N. The full InChI is InChI=1S/C8H9FN2/c1-6(11-3)4-8(5-10)7(2)9/h4H,2H2,1,3H3/b8-4-,11-6+.
What are the key properties of (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile?
(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile has a molecular weight of 152.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile is sourced from PubChem (CID 123821610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).