3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile

C13H14FNO2 — CID 79129588

IUPAC3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile
SMILESCC(O)(c1ccccc1F)C1(C#N)CCOC1
InChIInChI=1S/C13H14FNO2/c1-12(16,10-4-2-3-5-11(10)14)13(8-15)6-7-17-9-13/h2-5,16H,6-7,9H2,1H3
InChIKeyDCKGQRGUJSXJSE-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.96
Rot. Bonds2

About 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile

3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile (PubChem CID 79129588) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile
PubChem CID79129588
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile
SMILESCC(O)(c1ccccc1F)C1(C#N)CCOC1
InChIInChI=1S/C13H14FNO2/c1-12(16,10-4-2-3-5-11(10)14)13(8-15)6-7-17-9-13/h2-5,16H,6-7,9H2,1H3
InChIKeyDCKGQRGUJSXJSE-UHFFFAOYSA-N
XLogP1.96
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Tert-butylphenyl)-2-hydroxyacetonitrile
CID 43436620
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CID 98095548
3-[(2S,4R)-4-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)oxolan-2-yl]benzonitrile
CID 154720215
2-Fluoro-4-(2-hydroxypropan-2-yl)benzonitrile
CID 22481626
2-Fluoro-(1-hydroxy-1-methyl-ethyl)-benzonitrile
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(2-Fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
Fluoro-(oxolan-3-yl)-phenylmethanol
CID 66875231
(2-Fluoro-phenyl)-hydroxypropionitrile
CID 73315817
3-(2-Fluoro-phenyl)-3-hydroxy-butyronitrile
CID 79117049
3-(2-Fluoro-phenyl)-3-hydroxy-2,2-dimethyl-propionitrile
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2-(2,4-Difluorophenyl)-2-hydroxypropanenitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile?
The IUPAC name of 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile (CID 79129588) is 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile.
What is the SMILES notation for 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile?
The canonical SMILES for 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile is CC(O)(c1ccccc1F)C1(C#N)CCOC1.
What is the InChIKey of 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile?
The InChIKey is DCKGQRGUJSXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-12(16,10-4-2-3-5-11(10)14)13(8-15)6-7-17-9-13/h2-5,16H,6-7,9H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile?
3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile has a molecular weight of 235.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile is sourced from PubChem (CID 79129588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).