4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile

C17H12FNO2 — CID 103759988

IUPAC4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(F)cc1COc1cccc2c1CCC2=O
InChIInChI=1S/C17H12FNO2/c18-13-5-4-11(9-19)12(8-13)10-21-17-3-1-2-14-15(17)6-7-16(14)20/h1-5,8H,6-7,10H2
InChIKeyGFEYAXCKQIPGDM-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.41
Rot. Bonds3

About 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile

4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile (PubChem CID 103759988) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
PubChem CID103759988
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(F)cc1COc1cccc2c1CCC2=O
InChIInChI=1S/C17H12FNO2/c18-13-5-4-11(9-19)12(8-13)10-21-17-3-1-2-14-15(17)6-7-16(14)20/h1-5,8H,6-7,10H2
InChIKeyGFEYAXCKQIPGDM-UHFFFAOYSA-N
XLogP3.41
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile 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

4-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705375
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
CID 114014305
2-[(2-bromo-3-nitrophenoxy)methyl]-4-fluorobenzonitrile
CID 107903539
2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
2-[(2,6-dimethylphenoxy)methyl]-4-fluorobenzonitrile
CID 107903218
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 115982930
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
3-[(2-cyano-5-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760048

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile (CID 103759988) is 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile is N#Cc1ccc(F)cc1COc1cccc2c1CCC2=O.
What is the InChIKey of 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile?
The InChIKey is GFEYAXCKQIPGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-13-5-4-11(9-19)12(8-13)10-21-17-3-1-2-14-15(17)6-7-16(14)20/h1-5,8H,6-7,10H2.
What are the key properties of 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile?
4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile has a molecular weight of 281.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 103759988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).