2-fluoro-2-phenylacetonitrile

C8H6FN — CID 13334255

IUPAC2-fluoro-2-phenylacetonitrile
SMILESN#CC(F)c1ccccc1
InChIInChI=1S/C8H6FN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H
InChIKeyYNKQLRDKQOEOGC-UHFFFAOYSA-N
MW135.14 g/mol
LogP2.22
Rot. Bonds1

About 2-fluoro-2-phenylacetonitrile

2-fluoro-2-phenylacetonitrile (PubChem CID 13334255) has the molecular formula C8H6FN and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-fluoro-2-phenylacetonitrile.

Molecular Properties

Compound Name2-fluoro-2-phenylacetonitrile
PubChem CID13334255
Molecular FormulaC8H6FN
Molecular Weight135.14 g/mol
Exact Mass135.05
IUPAC Name2-fluoro-2-phenylacetonitrile
SMILESN#CC(F)c1ccccc1
InChIInChI=1S/C8H6FN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H
InChIKeyYNKQLRDKQOEOGC-UHFFFAOYSA-N
XLogP2.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenylacetonitrile?
The IUPAC name of 2-fluoro-2-phenylacetonitrile (CID 13334255) is 2-fluoro-2-phenylacetonitrile.
What is the SMILES notation for 2-fluoro-2-phenylacetonitrile?
The canonical SMILES for 2-fluoro-2-phenylacetonitrile is N#CC(F)c1ccccc1.
What is the InChIKey of 2-fluoro-2-phenylacetonitrile?
The InChIKey is YNKQLRDKQOEOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H.
What are the key properties of 2-fluoro-2-phenylacetonitrile?
2-fluoro-2-phenylacetonitrile has a molecular weight of 135.14 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenylacetonitrile is sourced from PubChem (CID 13334255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).