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

C6H9FN2 — CID 54175747

IUPAC2-amino-2-(fluoromethyl)pent-3-enenitrile
SMILESCC=CC(N)(C#N)CF
InChIInChI=1S/C6H9FN2/c1-2-3-6(9,4-7)5-8/h2-3H,4,9H2,1H3
InChIKeyOYFLWBBZCSCSAM-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.75
Rot. Bonds2

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

2-amino-2-(fluoromethyl)pent-3-enenitrile (PubChem CID 54175747) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)pent-3-enenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)pent-3-enenitrile
PubChem CID54175747
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name2-amino-2-(fluoromethyl)pent-3-enenitrile
SMILESCC=CC(N)(C#N)CF
InChIInChI=1S/C6H9FN2/c1-2-3-6(9,4-7)5-8/h2-3H,4,9H2,1H3
InChIKeyOYFLWBBZCSCSAM-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(fluoromethyl)pent-3-enenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)pent-3-enenitrile (CID 54175747) is 2-amino-2-(fluoromethyl)pent-3-enenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)pent-3-enenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)pent-3-enenitrile is CC=CC(N)(C#N)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)pent-3-enenitrile?
The InChIKey is OYFLWBBZCSCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-3-6(9,4-7)5-8/h2-3H,4,9H2,1H3.
What are the key properties of 2-amino-2-(fluoromethyl)pent-3-enenitrile?
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 2-amino-2-(fluoromethyl)pent-3-enenitrile is sourced from PubChem (CID 54175747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).