2-amino-4-fluoro-2-methylbutanenitrile

C5H9FN2 — CID 90251295

IUPAC2-amino-4-fluoro-2-methylbutanenitrile
SMILESCC(N)(C#N)CCF
InChIInChI=1S/C5H9FN2/c1-5(8,4-7)2-3-6/h2-3,8H2,1H3
InChIKeyJDEQZXQZZBDTSI-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.59
Rot. Bonds2

About 2-amino-4-fluoro-2-methylbutanenitrile

2-amino-4-fluoro-2-methylbutanenitrile (PubChem CID 90251295) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-amino-4-fluoro-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-fluoro-2-methylbutanenitrile
PubChem CID90251295
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name2-amino-4-fluoro-2-methylbutanenitrile
SMILESCC(N)(C#N)CCF
InChIInChI=1S/C5H9FN2/c1-5(8,4-7)2-3-6/h2-3,8H2,1H3
InChIKeyJDEQZXQZZBDTSI-UHFFFAOYSA-N
XLogP0.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-fluoro-2-methylbutanenitrile (CID 90251295) is 2-amino-4-fluoro-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-fluoro-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-fluoro-2-methylbutanenitrile is CC(N)(C#N)CCF.
What is the InChIKey of 2-amino-4-fluoro-2-methylbutanenitrile?
The InChIKey is JDEQZXQZZBDTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-5(8,4-7)2-3-6/h2-3,8H2,1H3.
What are the key properties of 2-amino-4-fluoro-2-methylbutanenitrile?
2-amino-4-fluoro-2-methylbutanenitrile has a molecular weight of 116.14 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-2-methylbutanenitrile is sourced from PubChem (CID 90251295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).