1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene

C23H32F4O — CID 130261244

IUPAC1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)C(F)(F)C1
InChIInChI=1S/C23H32F4O/c1-3-5-15-6-12-19(23(26,27)14-15)17-9-7-16(8-10-17)18-11-13-20(28-4-2)22(25)21(18)24/h11,13,15-17,19H,3-10,12,14H2,1-2H3
InChIKeyXSVCBSZOPMGXRB-UHFFFAOYSA-N
MW400.50 g/mol
LogP7.49
Rot. Bonds6

About 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene

1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 130261244) has the molecular formula C23H32F4O and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID130261244
Molecular FormulaC23H32F4O
Molecular Weight400.50 g/mol
Exact Mass400.24
IUPAC Name1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)C(F)(F)C1
InChIInChI=1S/C23H32F4O/c1-3-5-15-6-12-19(23(26,27)14-15)17-9-7-16(8-10-17)18-11-13-20(28-4-2)22(25)21(18)24/h11,13,15-17,19H,3-10,12,14H2,1-2H3
InChIKeyXSVCBSZOPMGXRB-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 130261604
4-[(1S,4R)-3,3-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-1-ethoxy-2-fluorobenzene
CID 139604059
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-ethoxy-4-[(4S)-4-(4-ethyl-4-methylcyclohexyl)-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 129013900
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 130352162
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161445027
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene (CID 130261244) is 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene is CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)C(F)(F)C1.
What is the InChIKey of 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is XSVCBSZOPMGXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F4O/c1-3-5-15-6-12-19(23(26,27)14-15)17-9-7-16(8-10-17)18-11-13-20(28-4-2)22(25)21(18)24/h11,13,15-17,19H,3-10,12,14H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 400.50 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 130261244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).