3-(2-fluorophenyl)-3-hydroxybutanenitrile

C10H10FNO — CID 79117049

IUPAC3-(2-fluorophenyl)-3-hydroxybutanenitrile
SMILESCC(O)(CC#N)c1ccccc1F
InChIInChI=1S/C10H10FNO/c1-10(13,6-7-12)8-4-2-3-5-9(8)11/h2-5,13H,6H2,1H3
InChIKeyRCENGKQLJLAGJT-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.95
Rot. Bonds2

About 3-(2-fluorophenyl)-3-hydroxybutanenitrile

3-(2-fluorophenyl)-3-hydroxybutanenitrile (PubChem CID 79117049) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-hydroxybutanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-hydroxybutanenitrile
PubChem CID79117049
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(2-fluorophenyl)-3-hydroxybutanenitrile
SMILESCC(O)(CC#N)c1ccccc1F
InChIInChI=1S/C10H10FNO/c1-10(13,6-7-12)8-4-2-3-5-9(8)11/h2-5,13H,6H2,1H3
InChIKeyRCENGKQLJLAGJT-UHFFFAOYSA-N
XLogP1.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-hydroxybutanenitrile?
The IUPAC name of 3-(2-fluorophenyl)-3-hydroxybutanenitrile (CID 79117049) is 3-(2-fluorophenyl)-3-hydroxybutanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-3-hydroxybutanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)-3-hydroxybutanenitrile is CC(O)(CC#N)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-3-hydroxybutanenitrile?
The InChIKey is RCENGKQLJLAGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-10(13,6-7-12)8-4-2-3-5-9(8)11/h2-5,13H,6H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-hydroxybutanenitrile?
3-(2-fluorophenyl)-3-hydroxybutanenitrile has a molecular weight of 179.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-hydroxybutanenitrile is sourced from PubChem (CID 79117049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).