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

C10H10FNO — CID 10997622

IUPAC(3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile
SMILESN#CC[C@@H](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/t8-/m0/s1
InChIKeyLYPGFACTHZJNMX-QMMMGPOBSA-N
MW179.19 g/mol
LogP1.82
Rot. Bonds3

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

(3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile (PubChem CID 10997622) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile
PubChem CID10997622
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile
SMILESN#CC[C@@H](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/t8-/m0/s1
InChIKeyLYPGFACTHZJNMX-QMMMGPOBSA-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 (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile?
The IUPAC name of (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile (CID 10997622) is (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile is N#CC[C@@H](CO)c1ccccc1F.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile?
The InChIKey is LYPGFACTHZJNMX-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile?
(3R)-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 (3R)-3-(2-fluorophenyl)-4-hydroxybutanenitrile is sourced from PubChem (CID 10997622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).