5-fluoro-2-(2-propoxyethoxy)benzonitrile

C12H14FNO2 — CID 63684547

IUPAC5-fluoro-2-(2-propoxyethoxy)benzonitrile
SMILESCCCOCCOc1ccc(F)cc1C#N
InChIInChI=1S/C12H14FNO2/c1-2-5-15-6-7-16-12-4-3-11(13)8-10(12)9-14/h3-4,8H,2,5-7H2,1H3
InChIKeyHFNWCFIAAJAAHT-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.50
Rot. Bonds6

About 5-fluoro-2-(2-propoxyethoxy)benzonitrile

5-fluoro-2-(2-propoxyethoxy)benzonitrile (PubChem CID 63684547) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-fluoro-2-(2-propoxyethoxy)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-propoxyethoxy)benzonitrile
PubChem CID63684547
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-fluoro-2-(2-propoxyethoxy)benzonitrile
SMILESCCCOCCOc1ccc(F)cc1C#N
InChIInChI=1S/C12H14FNO2/c1-2-5-15-6-7-16-12-4-3-11(13)8-10(12)9-14/h3-4,8H,2,5-7H2,1H3
InChIKeyHFNWCFIAAJAAHT-UHFFFAOYSA-N
XLogP2.50
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.50
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

2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177563
2-bromo-3-fluoro-4-(2-propoxyethoxy)benzonitrile
CID 107534385
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
CID 106455515
2-but-2-ynoxy-5-fluorobenzonitrile
CID 102342820
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile
CID 10828338
2-[2-(dimethylamino)-2-methylpropoxy]-5-fluorobenzonitrile
CID 79679477
4-fluoro-2-[(3-propoxypropylamino)methyl]benzonitrile
CID 107904680
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-propoxyethoxy)benzonitrile?
The IUPAC name of 5-fluoro-2-(2-propoxyethoxy)benzonitrile (CID 63684547) is 5-fluoro-2-(2-propoxyethoxy)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-propoxyethoxy)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2-propoxyethoxy)benzonitrile is CCCOCCOc1ccc(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-(2-propoxyethoxy)benzonitrile?
The InChIKey is HFNWCFIAAJAAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-5-15-6-7-16-12-4-3-11(13)8-10(12)9-14/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 5-fluoro-2-(2-propoxyethoxy)benzonitrile?
5-fluoro-2-(2-propoxyethoxy)benzonitrile has a molecular weight of 223.25 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-propoxyethoxy)benzonitrile is sourced from PubChem (CID 63684547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).