2-(2-cyclobutylethoxy)-5-fluorobenzonitrile

C13H14FNO — CID 106201555

IUPAC2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1OCCC1CCC1
InChIInChI=1S/C13H14FNO/c14-12-4-5-13(11(8-12)9-15)16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7H2
InChIKeyUIATWSAPLBHUGM-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile

2-(2-cyclobutylethoxy)-5-fluorobenzonitrile (PubChem CID 106201555) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
PubChem CID106201555
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1OCCC1CCC1
InChIInChI=1S/C13H14FNO/c14-12-4-5-13(11(8-12)9-15)16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7H2
InChIKeyUIATWSAPLBHUGM-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile
CID 63673481
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
2-bromo-4-(2-cyclopropylethoxy)-3-fluorobenzonitrile
CID 106201470
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
2-(2-cyclopropylethoxymethyl)-4-fluorobenzonitrile
CID 106201262
5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177563
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
3-amino-4-(2-cyclopentylethoxy)benzonitrile
CID 114190833
2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carbonitrile
CID 130247545

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile (CID 106201555) is 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1OCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile?
The InChIKey is UIATWSAPLBHUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-12-4-5-13(11(8-12)9-15)16-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7H2.
What are the key properties of 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile?
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile has a molecular weight of 219.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 106201555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).