5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene

C25H27F3 — CID 139948703

IUPAC5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4c(cc(F)c(F)c4F)C3)cc2)CC1
InChIInChI=1S/C25H27F3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(26)25(28)24(22)27/h8-12,15-17H,2-7,13-14H2,1H3
InChIKeyZZLLQYNZLIUMTK-UHFFFAOYSA-N
MW384.49 g/mol
LogP7.36
Rot. Bonds4

About 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene

5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene (PubChem CID 139948703) has the molecular formula C25H27F3 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
PubChem CID139948703
Molecular FormulaC25H27F3
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4c(cc(F)c(F)c4F)C3)cc2)CC1
InChIInChI=1S/C25H27F3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(26)25(28)24(22)27/h8-12,15-17H,2-7,13-14H2,1H3
InChIKeyZZLLQYNZLIUMTK-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960667
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108
(3,4,5-trifluorophenyl) 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 22941168
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene
CID 139960874
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene
CID 12069695

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The IUPAC name of 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene (CID 139948703) is 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene.
What is the SMILES notation for 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The canonical SMILES for 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene is CCCC1CCC(c2ccc(C3=CCc4c(cc(F)c(F)c4F)C3)cc2)CC1.
What is the InChIKey of 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The InChIKey is ZZLLQYNZLIUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(26)25(28)24(22)27/h8-12,15-17H,2-7,13-14H2,1H3.
What are the key properties of 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene has a molecular weight of 384.49 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene is sourced from PubChem (CID 139948703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).