2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile

C10H10FNO2 — CID 174958896

IUPAC2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1CC(O)(F)C#N
InChIInChI=1S/C10H10FNO2/c1-14-9-5-3-2-4-8(9)6-10(11,13)7-12/h2-5,13H,6H2,1H3
InChIKeyBOYQDSWRQHYVRG-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.42
Rot. Bonds3

About 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile

2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile (PubChem CID 174958896) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
PubChem CID174958896
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1CC(O)(F)C#N
InChIInChI=1S/C10H10FNO2/c1-14-9-5-3-2-4-8(9)6-10(11,13)7-12/h2-5,13H,6H2,1H3
InChIKeyBOYQDSWRQHYVRG-UHFFFAOYSA-N
XLogP1.42
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
CID 115046789
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
CID 79446963
(2-(111C)methoxyphenyl)methanol
CID 59897789
(2-methoxyphenyl)methyl selenocyanate
CID 10331260
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
CID 13468543
(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile?
The IUPAC name of 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile (CID 174958896) is 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile is COc1ccccc1CC(O)(F)C#N.
What is the InChIKey of 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile?
The InChIKey is BOYQDSWRQHYVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-9-5-3-2-4-8(9)6-10(11,13)7-12/h2-5,13H,6H2,1H3.
What are the key properties of 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile?
2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile has a molecular weight of 195.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 174958896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).