1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene

C26H25F3O — CID 159997801

IUPAC1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(C4CCCCC4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C26H25F3O/c1-2-30-24-15-14-22(25(28)26(24)29)19-10-8-17(9-11-19)20-12-13-21(23(27)16-20)18-6-4-3-5-7-18/h8-16,18H,2-7H2,1H3
InChIKeyOHTPDKYEVDVPHE-UHFFFAOYSA-N
MW410.48 g/mol
LogP7.88
Rot. Bonds5

About 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene

1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 159997801) has the molecular formula C26H25F3O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID159997801
Molecular FormulaC26H25F3O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(C4CCCCC4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C26H25F3O/c1-2-30-24-15-14-22(25(28)26(24)29)19-10-8-17(9-11-19)20-12-13-21(23(27)16-20)18-6-4-3-5-7-18/h8-16,18H,2-7H2,1H3
InChIKeyOHTPDKYEVDVPHE-UHFFFAOYSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730326
5-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]-2-propyl-1,3-dioxane
CID 67736407
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730403
1-ethoxy-2,3-difluoro-4-[4-[3-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]phenyl]phenyl]benzene
CID 67738001
1-[4-[4-[(E)-but-1-enyl]cyclohexyl]-3-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 20621656
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-octoxybenzene
CID 67730257
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
CID 59874030
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67737891
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
1-[4-[4-(4-but-3-enylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730547

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene (CID 159997801) is 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene is CCOc1ccc(-c2ccc(-c3ccc(C4CCCCC4)c(F)c3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is OHTPDKYEVDVPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O/c1-2-30-24-15-14-22(25(28)26(24)29)19-10-8-17(9-11-19)20-12-13-21(23(27)16-20)18-6-4-3-5-7-18/h8-16,18H,2-7H2,1H3.
What are the key properties of 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 410.48 g/mol, XLogP of 7.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 159997801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).