2-fluoro-2-methylpropanenitrile

C4H6FN — CID 10129896

IUPAC2-fluoro-2-methylpropanenitrile
SMILESCC(C)(F)C#N
InChIInChI=1S/C4H6FN/c1-4(2,5)3-6/h1-2H3
InChIKeyREBAWHWWWIHOCJ-UHFFFAOYSA-N
MW87.10 g/mol
LogP1.26
Rot. Bonds

About 2-fluoro-2-methylpropanenitrile

2-fluoro-2-methylpropanenitrile (PubChem CID 10129896) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 2-fluoro-2-methylpropanenitrile.

Molecular Properties

Compound Name2-fluoro-2-methylpropanenitrile
PubChem CID10129896
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name2-fluoro-2-methylpropanenitrile
SMILESCC(C)(F)C#N
InChIInChI=1S/C4H6FN/c1-4(2,5)3-6/h1-2H3
InChIKeyREBAWHWWWIHOCJ-UHFFFAOYSA-N
XLogP1.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylpropanenitrile?
The IUPAC name of 2-fluoro-2-methylpropanenitrile (CID 10129896) is 2-fluoro-2-methylpropanenitrile.
What is the SMILES notation for 2-fluoro-2-methylpropanenitrile?
The canonical SMILES for 2-fluoro-2-methylpropanenitrile is CC(C)(F)C#N.
What is the InChIKey of 2-fluoro-2-methylpropanenitrile?
The InChIKey is REBAWHWWWIHOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c1-4(2,5)3-6/h1-2H3.
What are the key properties of 2-fluoro-2-methylpropanenitrile?
2-fluoro-2-methylpropanenitrile has a molecular weight of 87.10 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylpropanenitrile is sourced from PubChem (CID 10129896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).