2-(4-fluorophenyl)-2-hydroxypropanenitrile

C9H8FNO — CID 57349674

IUPAC2-(4-fluorophenyl)-2-hydroxypropanenitrile
SMILESCC(O)(C#N)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,1H3
InChIKeyLSOYIRQMGNQEIS-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.56
Rot. Bonds1

About 2-(4-fluorophenyl)-2-hydroxypropanenitrile

2-(4-fluorophenyl)-2-hydroxypropanenitrile (PubChem CID 57349674) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxypropanenitrile
PubChem CID57349674
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(4-fluorophenyl)-2-hydroxypropanenitrile
SMILESCC(O)(C#N)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,1H3
InChIKeyLSOYIRQMGNQEIS-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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Related Compounds

(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
2-(4-fluorophenyl)propan-2-ol
CID 637733
2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
ethane;2-(4-fluorophenyl)-2-methylbutanenitrile
CID 144811138
3,3-bis(4-fluorophenyl)-3-hydroxypropanenitrile
CID 171986042
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
3-[1-(4-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481471
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
(3R)-3-amino-3-(4-fluorophenyl)butanenitrile
CID 131059334
2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile
CID 102013870
(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol
CID 11480958

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxypropanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxypropanenitrile (CID 57349674) is 2-(4-fluorophenyl)-2-hydroxypropanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxypropanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxypropanenitrile is CC(O)(C#N)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxypropanenitrile?
The InChIKey is LSOYIRQMGNQEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-hydroxypropanenitrile?
2-(4-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-(4-fluorophenyl)-2-hydroxypropanenitrile is sourced from PubChem (CID 57349674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).