3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile

C14H14FNO2 — CID 83068959

IUPAC3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCc3c(F)cccc32)CCOC1
InChIInChI=1S/C14H14FNO2/c15-12-3-1-2-11-10(12)4-5-14(11,17)13(8-16)6-7-18-9-13/h1-3,17H,4-7,9H2
InChIKeyCFJIUXONOISIQC-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.89
Rot. Bonds1

About 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile

3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile (PubChem CID 83068959) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
PubChem CID83068959
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCc3c(F)cccc32)CCOC1
InChIInChI=1S/C14H14FNO2/c15-12-3-1-2-11-10(12)4-5-14(11,17)13(8-16)6-7-18-9-13/h1-3,17H,4-7,9H2
InChIKeyCFJIUXONOISIQC-UHFFFAOYSA-N
XLogP1.89
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile 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

3-(6-Fluoro-1-hydroxy-2-methyl-1,3-dihydroinden-2-yl)propanenitrile
CID 59542272
3-(2-Ethenyl-6-fluoro-1-hydroxy-1,3-dihydroinden-2-yl)propanenitrile
CID 148431336
(1S,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol
CID 56945781
(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol
CID 56945782
2-[1-(3-Fluorophenyl)-1-hydroxyethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79129586
3-[1-(2-Fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile
CID 79129588
2-[1-(4-Fluorophenyl)-1-hydroxyethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79130137
3-[1-(3-Fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile
CID 79130139
3-[1-(4-Fluorophenyl)-1-hydroxyethyl]oxolane-3-carbonitrile
CID 79130753
2-[1-(2-Fluorophenyl)-1-hydroxyethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79131340
2-[(4-Fluoro-2-methylphenyl)-hydroxymethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79131554
3-[(4-Fluoro-2-methylphenyl)-hydroxymethyl]oxolane-3-carbonitrile
CID 79132006

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
The IUPAC name of 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile (CID 83068959) is 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile is N#CC1(C2(O)CCc3c(F)cccc32)CCOC1.
What is the InChIKey of 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
The InChIKey is CFJIUXONOISIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-12-3-1-2-11-10(12)4-5-14(11,17)13(8-16)6-7-18-9-13/h1-3,17H,4-7,9H2.
What are the key properties of 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile has a molecular weight of 247.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 83068959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).