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

C7H11FN2 — CID 88751861

IUPAC2-amino-2-(fluoromethyl)hex-3-enenitrile
SMILESCCC=CC(N)(C#N)CF
InChIInChI=1S/C7H11FN2/c1-2-3-4-7(10,5-8)6-9/h3-4H,2,5,10H2,1H3
InChIKeyGJZBCEHQWQMAHJ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.14
Rot. Bonds3

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

2-amino-2-(fluoromethyl)hex-3-enenitrile (PubChem CID 88751861) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)hex-3-enenitrile.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)hex-3-enenitrile
PubChem CID88751861
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-amino-2-(fluoromethyl)hex-3-enenitrile
SMILESCCC=CC(N)(C#N)CF
InChIInChI=1S/C7H11FN2/c1-2-3-4-7(10,5-8)6-9/h3-4H,2,5,10H2,1H3
InChIKeyGJZBCEHQWQMAHJ-UHFFFAOYSA-N
XLogP1.14
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.14
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)hex-3-enenitrile?
The IUPAC name of 2-amino-2-(fluoromethyl)hex-3-enenitrile (CID 88751861) is 2-amino-2-(fluoromethyl)hex-3-enenitrile.
What is the SMILES notation for 2-amino-2-(fluoromethyl)hex-3-enenitrile?
The canonical SMILES for 2-amino-2-(fluoromethyl)hex-3-enenitrile is CCC=CC(N)(C#N)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)hex-3-enenitrile?
The InChIKey is GJZBCEHQWQMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-2-3-4-7(10,5-8)6-9/h3-4H,2,5,10H2,1H3.
What are the key properties of 2-amino-2-(fluoromethyl)hex-3-enenitrile?
2-amino-2-(fluoromethyl)hex-3-enenitrile has a molecular weight of 142.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)hex-3-enenitrile is sourced from PubChem (CID 88751861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).