3-fluoro-4-nonoxybenzonitrile

C16H22FNO — CID 107670423

IUPAC3-fluoro-4-nonoxybenzonitrile
SMILESCCCCCCCCCOc1ccc(C#N)cc1F
InChIInChI=1S/C16H22FNO/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12H,2-8,11H2,1H3
InChIKeyLPNVTZAPJUIGDY-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.83
Rot. Bonds9

About 3-fluoro-4-nonoxybenzonitrile

3-fluoro-4-nonoxybenzonitrile (PubChem CID 107670423) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-fluoro-4-nonoxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-nonoxybenzonitrile
PubChem CID107670423
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-fluoro-4-nonoxybenzonitrile
SMILESCCCCCCCCCOc1ccc(C#N)cc1F
InChIInChI=1S/C16H22FNO/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12H,2-8,11H2,1H3
InChIKeyLPNVTZAPJUIGDY-UHFFFAOYSA-N
XLogP4.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-nonoxybenzonitrile 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-(9-bromononoxy)-3-fluorobenzonitrile
CID 107670352
3-bromo-4-octoxybenzonitrile
CID 82797429
3-ethoxy-4-hexoxybenzonitrile
CID 20993567
1-dodecoxy-2-fluoro-4-(2-phenylethynyl)benzene
CID 59861149
1,4-bis[2-(4-dodecoxy-3-fluorophenyl)ethynyl]-2-fluorobenzene
CID 59638869
4-[3-(ethylamino)propoxy]-3-fluorobenzonitrile
CID 107667022
3-fluoro-4-(5-oxohexoxy)benzonitrile
CID 104891719
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
6,7-didodecoxytriphenylene-2,11-dicarbonitrile
CID 101498904
[4-(4-cyano-2-fluorophenoxy)carbonylphenyl] 4-dodecoxybenzoate
CID 59680539
4-(4-cyano-4-methylpentoxy)-3-fluorobenzonitrile
CID 103793542
2,5-bis[2-(4-dodecoxy-3-fluorophenyl)ethynyl]pyrimidine
CID 59638879

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nonoxybenzonitrile?
The IUPAC name of 3-fluoro-4-nonoxybenzonitrile (CID 107670423) is 3-fluoro-4-nonoxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-nonoxybenzonitrile?
The canonical SMILES for 3-fluoro-4-nonoxybenzonitrile is CCCCCCCCCOc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-nonoxybenzonitrile?
The InChIKey is LPNVTZAPJUIGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 3-fluoro-4-nonoxybenzonitrile?
3-fluoro-4-nonoxybenzonitrile has a molecular weight of 263.36 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nonoxybenzonitrile is sourced from PubChem (CID 107670423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).