(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile

C6H9FN2 — CID 91999097

IUPAC(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile
SMILESC/C=C\C(N)(C#N)CF
InChIInChI=1S/C6H9FN2/c1-2-3-6(9,4-7)5-8/h2-3H,4,9H2,1H3/b3-2-
InChIKeyOYFLWBBZCSCSAM-IHWYPQMZSA-N
MW128.15 g/mol
LogP0.75
Rot. Bonds2

About (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile

(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile (PubChem CID 91999097) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile.

Molecular Properties

Compound Name(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile
PubChem CID91999097
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile
SMILESC/C=C\C(N)(C#N)CF
InChIInChI=1S/C6H9FN2/c1-2-3-6(9,4-7)5-8/h2-3H,4,9H2,1H3/b3-2-
InChIKeyOYFLWBBZCSCSAM-IHWYPQMZSA-N
XLogP0.75
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile?
The IUPAC name of (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile (CID 91999097) is (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile.
What is the SMILES notation for (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile?
The canonical SMILES for (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile is C/C=C\C(N)(C#N)CF.
What is the InChIKey of (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile?
The InChIKey is OYFLWBBZCSCSAM-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-3-6(9,4-7)5-8/h2-3H,4,9H2,1H3/b3-2-.
What are the key properties of (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile?
(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile has a molecular weight of 128.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile is sourced from PubChem (CID 91999097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).