6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C34H41F7O — CID 139853437

IUPAC6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC(CCC2CCc3c(cc(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5F)CC4)c3F)C2)CC1
InChIInChI=1S/C34H41F7O/c1-2-3-20-4-6-21(7-5-20)8-9-22-10-15-27-25(18-22)19-28(35)30(31(27)36)24-13-11-23(12-14-24)26-16-17-29(33(38)32(26)37)42-34(39,40)41/h16-17,19-24H,2-15,18H2,1H3
InChIKeyQBHLMCRKMPZNMU-UHFFFAOYSA-N
MW598.69 g/mol
LogP11.07
Rot. Bonds8

About 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene

6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853437) has the molecular formula C34H41F7O and a molecular weight of 598.69 g/mol. Its IUPAC name is 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139853437
Molecular FormulaC34H41F7O
Molecular Weight598.69 g/mol
Exact Mass598.30
IUPAC Name6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC(CCC2CCc3c(cc(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5F)CC4)c3F)C2)CC1
InChIInChI=1S/C34H41F7O/c1-2-3-20-4-6-21(7-5-20)8-9-22-10-15-27-25(18-22)19-28(35)30(31(27)36)24-13-11-23(12-14-24)26-16-17-29(33(38)32(26)37)42-34(39,40)41/h16-17,19-24H,2-15,18H2,1H3
InChIKeyQBHLMCRKMPZNMU-UHFFFAOYSA-N
XLogP11.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.69
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

2-[2-(4-butylphenyl)ethyl]-6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139852930
2-[2-(2,3-difluoro-4-propylphenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853514
2-[2-(4-butyl-2,3-difluorophenyl)ethyl]-6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139852703
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852312
7-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849759
2-[2-(4-butyl-2-fluorophenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852941
2-[2-(4-ethylphenyl)ethyl]-5,7-difluoro-6-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853625
5,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848586
6-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-pentylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139853689
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
5,7-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865413
2-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848787

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 139853437) is 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene is CCCC1CCC(CCC2CCc3c(cc(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5F)CC4)c3F)C2)CC1.
What is the InChIKey of 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is QBHLMCRKMPZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F7O/c1-2-3-20-4-6-21(7-5-20)8-9-22-10-15-27-25(18-22)19-28(35)30(31(27)36)24-13-11-23(12-14-24)26-16-17-29(33(38)32(26)37)42-34(39,40)41/h16-17,19-24H,2-15,18H2,1H3.
What are the key properties of 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 598.69 g/mol, XLogP of 11.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).