3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile

C15H11F2NO2 — CID 43289328

IUPAC3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCOc2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2NO2/c16-12-4-5-15(14(17)9-12)20-7-6-19-13-3-1-2-11(8-13)10-18/h1-5,8-9H,6-7H2
InChIKeyFTHARYNESNZHEF-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.29
Rot. Bonds5

About 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile

3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile (PubChem CID 43289328) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile
PubChem CID43289328
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCOc2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2NO2/c16-12-4-5-15(14(17)9-12)20-7-6-19-13-3-1-2-11(8-13)10-18/h1-5,8-9H,6-7H2
InChIKeyFTHARYNESNZHEF-UHFFFAOYSA-N
XLogP3.29
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.29
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

4-[2-(3-bromophenoxy)ethoxy]-3-fluorobenzonitrile
CID 107667700
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
3-[2-(2-propan-2-ylphenoxy)ethoxy]benzonitrile
CID 22681824
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[2-(2-nitrophenoxy)ethoxy]benzonitrile
CID 51891677
4-[3-(3-fluorophenoxy)propoxy]benzonitrile
CID 43289409

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile (CID 43289328) is 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile is N#Cc1cccc(OCCOc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile?
The InChIKey is FTHARYNESNZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-12-4-5-15(14(17)9-12)20-7-6-19-13-3-1-2-11(8-13)10-18/h1-5,8-9H,6-7H2.
What are the key properties of 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile?
3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile has a molecular weight of 275.25 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 43289328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).