2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile

C14H14FNO2 — CID 79565850

IUPAC2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCCC1CCCC1=O
InChIInChI=1S/C14H14FNO2/c15-12-4-2-6-14(11(12)9-16)18-8-7-10-3-1-5-13(10)17/h2,4,6,10H,1,3,5,7-8H2
InChIKeyLNYITYQRLJGLDW-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.84
Rot. Bonds4

About 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile

2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile (PubChem CID 79565850) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
PubChem CID79565850
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OCCC1CCCC1=O
InChIInChI=1S/C14H14FNO2/c15-12-4-2-6-14(11(12)9-16)18-8-7-10-3-1-5-13(10)17/h2,4,6,10H,1,3,5,7-8H2
InChIKeyLNYITYQRLJGLDW-UHFFFAOYSA-N
XLogP2.84
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
CID 69357808
3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79565439
3-chloro-4-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79566028
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile
CID 67301728
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
2-[2-(4-chloro-3-fluorophenoxy)ethyl]cyclopentan-1-one
CID 82707034
2-(3,3-diethoxypropoxy)-6-fluorobenzonitrile
CID 63629983
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile
CID 79512645

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile (CID 79565850) is 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile is N#Cc1c(F)cccc1OCCC1CCCC1=O.
What is the InChIKey of 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
The InChIKey is LNYITYQRLJGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-12-4-2-6-14(11(12)9-16)18-8-7-10-3-1-5-13(10)17/h2,4,6,10H,1,3,5,7-8H2.
What are the key properties of 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile has a molecular weight of 247.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile is sourced from PubChem (CID 79565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).