3-(2-fluorophenyl)-4-hydroxybutanenitrile

C10H10FNO — CID 21266197

IUPAC3-(2-fluorophenyl)-4-hydroxybutanenitrile
SMILESN#CCC(CO)c1ccccc1F
InChIInChI=1S/C10H10FNO/c11-10-4-2-1-3-9(10)8(7-13)5-6-12/h1-4,8,13H,5,7H2
InChIKeyLYPGFACTHZJNMX-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.82
Rot. Bonds3

About 3-(2-fluorophenyl)-4-hydroxybutanenitrile

3-(2-fluorophenyl)-4-hydroxybutanenitrile (PubChem CID 21266197) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-hydroxybutanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-hydroxybutanenitrile
PubChem CID21266197
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(2-fluorophenyl)-4-hydroxybutanenitrile
SMILESN#CCC(CO)c1ccccc1F
InChIInChI=1S/C10H10FNO/c11-10-4-2-1-3-9(10)8(7-13)5-6-12/h1-4,8,13H,5,7H2
InChIKeyLYPGFACTHZJNMX-UHFFFAOYSA-N
XLogP1.82
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-1-propanol
CID 14295
4-Fluorophenethyl Alcohol
CID 82068
2-Phenylbutane-1-ol
CID 95542
2-Phenyl-1,3-propanediol
CID 254178
4-(2-Hydroxyethyl)benzonitrile
CID 2800815
3-Phenyllactonitrile
CID 291037
(+)-2-Phenyl-1-propanol
CID 177050
2-(4-Fluorophenyl)-4-methoxybutanenitrile (47)
CID 56840704
2-Phenylpropanol
CID 447661
2-(3-Fluorophenyl)ethanol
CID 573132
2-Phenylpent-4-en-1-ol
CID 578394
2-(2-Fluorophenyl)ethan-1-ol
CID 2733296

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-hydroxybutanenitrile?
The IUPAC name of 3-(2-fluorophenyl)-4-hydroxybutanenitrile (CID 21266197) is 3-(2-fluorophenyl)-4-hydroxybutanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-4-hydroxybutanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)-4-hydroxybutanenitrile is N#CCC(CO)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-hydroxybutanenitrile?
The InChIKey is LYPGFACTHZJNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-10-4-2-1-3-9(10)8(7-13)5-6-12/h1-4,8,13H,5,7H2.
What are the key properties of 3-(2-fluorophenyl)-4-hydroxybutanenitrile?
3-(2-fluorophenyl)-4-hydroxybutanenitrile has a molecular weight of 179.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-hydroxybutanenitrile is sourced from PubChem (CID 21266197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).