2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene

C25H26F4O — CID 139960667

IUPAC2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCC1CCC(c2ccc(C3=CCc4c(ccc(OC(F)(F)F)c4F)C3)cc2)CC1
InChIInChI=1S/C25H26F4O/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-13-22-21(15-20)12-14-23(24(22)26)30-25(27,28)29/h7-12,14,16-17H,2-6,13,15H2,1H3
InChIKeySALGTOYXHNBBTN-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.59
Rot. Bonds4

About 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene

2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene (PubChem CID 139960667) has the molecular formula C25H26F4O and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
PubChem CID139960667
Molecular FormulaC25H26F4O
Molecular Weight418.47 g/mol
Exact Mass418.19
IUPAC Name2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
SMILESCCC1CCC(c2ccc(C3=CCc4c(ccc(OC(F)(F)F)c4F)C3)cc2)CC1
InChIInChI=1S/C25H26F4O/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-13-22-21(15-20)12-14-23(24(22)26)30-25(27,28)29/h7-12,14,16-17H,2-6,13,15H2,1H3
InChIKeySALGTOYXHNBBTN-UHFFFAOYSA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
2-[2-(4-ethylcyclohexyl)ethyl]-5-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960803
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
2-(4-butyl-2-fluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960984
2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948906
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
5-[4-(4-butylcyclohexyl)phenyl]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene;1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]benzene;1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-propylcyclohexyl)phenyl]benzene;5-[4-(4-ethylcyclohexyl)phenyl]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 161310838
5,7-difluoro-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-(4-pentylcyclohexyl)-1,4-dihydronaphthalene
CID 139948737

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene (CID 139960667) is 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene is CCC1CCC(c2ccc(C3=CCc4c(ccc(OC(F)(F)F)c4F)C3)cc2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
The InChIKey is SALGTOYXHNBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4O/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-13-22-21(15-20)12-14-23(24(22)26)30-25(27,28)29/h7-12,14,16-17H,2-6,13,15H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene?
2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene has a molecular weight of 418.47 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene is sourced from PubChem (CID 139960667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).