2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene

C26H27F5O — CID 139948762

IUPAC2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCCC1CC(F)C(c2ccc(C3=CCc4cc(OC(F)(F)F)ccc4C3)cc2)C(F)C1
InChIInChI=1S/C26H27F5O/c1-2-3-16-12-23(27)25(24(28)13-16)18-6-4-17(5-7-18)19-8-9-21-15-22(32-26(29,30)31)11-10-20(21)14-19/h4-8,10-11,15-16,23-25H,2-3,9,12-14H2,1H3
InChIKeyFFNHMAKOEXWOGZ-UHFFFAOYSA-N
MW450.49 g/mol
LogP7.74
Rot. Bonds5

About 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene

2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene (PubChem CID 139948762) has the molecular formula C26H27F5O and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
PubChem CID139948762
Molecular FormulaC26H27F5O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCCC1CC(F)C(c2ccc(C3=CCc4cc(OC(F)(F)F)ccc4C3)cc2)C(F)C1
InChIInChI=1S/C26H27F5O/c1-2-3-16-12-23(27)25(24(28)13-16)18-6-4-17(5-7-18)19-8-9-21-15-22(32-26(29,30)31)11-10-20(21)14-19/h4-8,10-11,15-16,23-25H,2-3,9,12-14H2,1H3
InChIKeyFFNHMAKOEXWOGZ-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,6-difluoro-4-pentylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948720
6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948778
2-[2-(4-ethylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948942
2-(4-pentylcyclohexyl)-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948914
2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948981
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876727
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The IUPAC name of 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene (CID 139948762) is 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The canonical SMILES for 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene is CCCC1CC(F)C(c2ccc(C3=CCc4cc(OC(F)(F)F)ccc4C3)cc2)C(F)C1.
What is the InChIKey of 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The InChIKey is FFNHMAKOEXWOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F5O/c1-2-3-16-12-23(27)25(24(28)13-16)18-6-4-17(5-7-18)19-8-9-21-15-22(32-26(29,30)31)11-10-20(21)14-19/h4-8,10-11,15-16,23-25H,2-3,9,12-14H2,1H3.
What are the key properties of 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene has a molecular weight of 450.49 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene is sourced from PubChem (CID 139948762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).