4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile

C22H23F2NO2 — CID 23051958

IUPAC4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile
SMILESCCOC1CCC(c2ccc(COc3ccc(C#N)c(F)c3F)cc2)CC1
InChIInChI=1S/C22H23F2NO2/c1-2-26-19-10-7-17(8-11-19)16-5-3-15(4-6-16)14-27-20-12-9-18(13-25)21(23)22(20)24/h3-6,9,12,17,19H,2,7-8,10-11,14H2,1H3
InChIKeyBNOQOSIKHQTRGC-UHFFFAOYSA-N
MW371.43 g/mol
LogP5.48
Rot. Bonds6

About 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile

4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile (PubChem CID 23051958) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile
PubChem CID23051958
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile
SMILESCCOC1CCC(c2ccc(COc3ccc(C#N)c(F)c3F)cc2)CC1
InChIInChI=1S/C22H23F2NO2/c1-2-26-19-10-7-17(8-11-19)16-5-3-15(4-6-16)14-27-20-12-9-18(13-25)21(23)22(20)24/h3-6,9,12,17,19H,2,7-8,10-11,14H2,1H3
InChIKeyBNOQOSIKHQTRGC-UHFFFAOYSA-N
XLogP5.48
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile with MolForge

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Related Compounds

2,3-difluoro-4-[[4-(4-propoxycyclohexyl)phenyl]methoxy]benzonitrile
CID 23052009
2,3-difluoro-4-[(4-pentylphenyl)methoxy]benzonitrile
CID 23051969
2,3-difluoro-4-[[4-(4-hexoxyphenyl)cyclohexyl]methoxy]benzonitrile
CID 23052126
(4-cyano-2,3-difluorophenyl) 4-(4-heptylphenyl)cyclohexane-1-carboxylate
CID 23052125
4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzonitrile
CID 23052033
(4-cyano-2,3-difluorophenyl) 4-(4-butylcyclohexyl)benzoate
CID 19103692
2,3-difluoro-4-[[4-(4-hexoxycyclohexyl)cyclohexyl]methoxy]benzonitrile
CID 18639252
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
CID 167407689
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
1-butoxy-2,3-difluoro-4-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]benzene
CID 19983746
1-but-3-enoxy-4-[[4-[4-(4-ethoxycyclohexyl)-2,3-difluorophenyl]phenyl]methoxy]-2,3-difluorobenzene
CID 89430565

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile?
The IUPAC name of 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile (CID 23051958) is 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile?
The canonical SMILES for 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile is CCOC1CCC(c2ccc(COc3ccc(C#N)c(F)c3F)cc2)CC1.
What is the InChIKey of 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile?
The InChIKey is BNOQOSIKHQTRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO2/c1-2-26-19-10-7-17(8-11-19)16-5-3-15(4-6-16)14-27-20-12-9-18(13-25)21(23)22(20)24/h3-6,9,12,17,19H,2,7-8,10-11,14H2,1H3.
What are the key properties of 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile?
4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile has a molecular weight of 371.43 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethoxycyclohexyl)phenyl]methoxy]-2,3-difluorobenzonitrile is sourced from PubChem (CID 23051958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).