2-(2-ethoxyethoxy)-5-fluorobenzonitrile

C11H12FNO2 — CID 63669220

IUPAC2-(2-ethoxyethoxy)-5-fluorobenzonitrile
SMILESCCOCCOc1ccc(F)cc1C#N
InChIInChI=1S/C11H12FNO2/c1-2-14-5-6-15-11-4-3-10(12)7-9(11)8-13/h3-4,7H,2,5-6H2,1H3
InChIKeyJOQVCVUGPCMBDX-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.11
Rot. Bonds5

About 2-(2-ethoxyethoxy)-5-fluorobenzonitrile

2-(2-ethoxyethoxy)-5-fluorobenzonitrile (PubChem CID 63669220) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-fluorobenzonitrile
PubChem CID63669220
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(2-ethoxyethoxy)-5-fluorobenzonitrile
SMILESCCOCCOc1ccc(F)cc1C#N
InChIInChI=1S/C11H12FNO2/c1-2-14-5-6-15-11-4-3-10(12)7-9(11)8-13/h3-4,7H,2,5-6H2,1H3
InChIKeyJOQVCVUGPCMBDX-UHFFFAOYSA-N
XLogP2.11
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177563
4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile
CID 10828338
2-(2-ethoxyethoxy)-5-nitrobenzonitrile
CID 113324288
2-but-2-ynoxy-5-fluorobenzonitrile
CID 102342820
3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 65181168
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
2-[2-(dimethylamino)-2-methylpropoxy]-5-fluorobenzonitrile
CID 79679477
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
CID 167407689
2-bromo-3-fluoro-4-(2-propoxyethoxy)benzonitrile
CID 107534385
2-[3-(benzylamino)propoxy]-5-fluorobenzonitrile
CID 114783165

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-ethoxyethoxy)-5-fluorobenzonitrile (CID 63669220) is 2-(2-ethoxyethoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-fluorobenzonitrile is CCOCCOc1ccc(F)cc1C#N.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-fluorobenzonitrile?
The InChIKey is JOQVCVUGPCMBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-14-5-6-15-11-4-3-10(12)7-9(11)8-13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)-5-fluorobenzonitrile?
2-(2-ethoxyethoxy)-5-fluorobenzonitrile has a molecular weight of 209.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 63669220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).