2,2,3-trifluorobutanenitrile

C4H4F3N — CID 134361663

IUPAC2,2,3-trifluorobutanenitrile
SMILESCC(F)C(F)(F)C#N
InChIInChI=1S/C4H4F3N/c1-3(5)4(6,7)2-8/h3H,1H3
InChIKeyCQIAAFMLIIBDRF-UHFFFAOYSA-N
MW123.08 g/mol
LogP1.50
Rot. Bonds1

About 2,2,3-trifluorobutanenitrile

2,2,3-trifluorobutanenitrile (PubChem CID 134361663) has the molecular formula C4H4F3N and a molecular weight of 123.08 g/mol. Its IUPAC name is 2,2,3-trifluorobutanenitrile.

Molecular Properties

Compound Name2,2,3-trifluorobutanenitrile
PubChem CID134361663
Molecular FormulaC4H4F3N
Molecular Weight123.08 g/mol
Exact Mass123.03
IUPAC Name2,2,3-trifluorobutanenitrile
SMILESCC(F)C(F)(F)C#N
InChIInChI=1S/C4H4F3N/c1-3(5)4(6,7)2-8/h3H,1H3
InChIKeyCQIAAFMLIIBDRF-UHFFFAOYSA-N
XLogP1.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.08
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluorobutanenitrile?
The IUPAC name of 2,2,3-trifluorobutanenitrile (CID 134361663) is 2,2,3-trifluorobutanenitrile.
What is the SMILES notation for 2,2,3-trifluorobutanenitrile?
The canonical SMILES for 2,2,3-trifluorobutanenitrile is CC(F)C(F)(F)C#N.
What is the InChIKey of 2,2,3-trifluorobutanenitrile?
The InChIKey is CQIAAFMLIIBDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N/c1-3(5)4(6,7)2-8/h3H,1H3.
What are the key properties of 2,2,3-trifluorobutanenitrile?
2,2,3-trifluorobutanenitrile has a molecular weight of 123.08 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluorobutanenitrile is sourced from PubChem (CID 134361663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).