2-(2-fluorophenyl)-2-hydroxypropanenitrile

C9H8FNO — CID 73315817

IUPAC2-(2-fluorophenyl)-2-hydroxypropanenitrile
SMILESCC(O)(C#N)c1ccccc1F
InChIInChI=1S/C9H8FNO/c1-9(12,6-11)7-4-2-3-5-8(7)10/h2-5,12H,1H3
InChIKeyUGOCQGCKUWRJSW-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.56
Rot. Bonds1

About 2-(2-fluorophenyl)-2-hydroxypropanenitrile

2-(2-fluorophenyl)-2-hydroxypropanenitrile (PubChem CID 73315817) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-hydroxypropanenitrile
PubChem CID73315817
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(2-fluorophenyl)-2-hydroxypropanenitrile
SMILESCC(O)(C#N)c1ccccc1F
InChIInChI=1S/C9H8FNO/c1-9(12,6-11)7-4-2-3-5-8(7)10/h2-5,12H,1H3
InChIKeyUGOCQGCKUWRJSW-UHFFFAOYSA-N
XLogP1.56
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-hydroxypropanenitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-hydroxypropanenitrile (CID 73315817) is 2-(2-fluorophenyl)-2-hydroxypropanenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-hydroxypropanenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-hydroxypropanenitrile is CC(O)(C#N)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-hydroxypropanenitrile?
The InChIKey is UGOCQGCKUWRJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-9(12,6-11)7-4-2-3-5-8(7)10/h2-5,12H,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-hydroxypropanenitrile?
2-(2-fluorophenyl)-2-hydroxypropanenitrile has a molecular weight of 165.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-hydroxypropanenitrile is sourced from PubChem (CID 73315817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).