4-(2-ethylphenoxy)-3,5-difluorobenzonitrile

C15H11F2NO — CID 81282911

IUPAC4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
SMILESCCc1ccccc1Oc1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H11F2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h3-8H,2H2,1H3
InChIKeyXWTGNNCCDKAOQW-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.19
Rot. Bonds3

About 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile

4-(2-ethylphenoxy)-3,5-difluorobenzonitrile (PubChem CID 81282911) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
PubChem CID81282911
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
SMILESCCc1ccccc1Oc1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H11F2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h3-8H,2H2,1H3
InChIKeyXWTGNNCCDKAOQW-UHFFFAOYSA-N
XLogP4.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
3-bromo-5-(2-ethylphenoxy)benzonitrile
CID 102817958
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
CID 81283852
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
3,5-difluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 81285817
3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
CID 81287439
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
CID 82825940
2-(2-ethylphenoxy)benzene-1,3-diol
CID 23109139

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile (CID 81282911) is 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile is CCc1ccccc1Oc1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile?
The InChIKey is XWTGNNCCDKAOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h3-8H,2H2,1H3.
What are the key properties of 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile?
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile has a molecular weight of 259.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81282911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).