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

C25H28F2 — CID 139949006

IUPAC5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4c(F)cc(F)cc4C3)cc2)CC1
InChIInChI=1S/C25H28F2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-24-22(14-21)15-23(26)16-25(24)27/h8-12,15-18H,2-7,13-14H2,1H3
InChIKeyLULNNEDDWROOGO-UHFFFAOYSA-N
MW366.50 g/mol
LogP7.22
Rot. Bonds4

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

5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene (PubChem CID 139949006) has the molecular formula C25H28F2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
PubChem CID139949006
Molecular FormulaC25H28F2
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4c(F)cc(F)cc4C3)cc2)CC1
InChIInChI=1S/C25H28F2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-24-22(14-21)15-23(26)16-25(24)27/h8-12,15-18H,2-7,13-14H2,1H3
InChIKeyLULNNEDDWROOGO-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948778
2-[4-(4-ethylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960667
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108
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
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247002

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The IUPAC name of 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene (CID 139949006) is 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene.
What is the SMILES notation for 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The canonical SMILES for 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene is CCCC1CCC(c2ccc(C3=CCc4c(F)cc(F)cc4C3)cc2)CC1.
What is the InChIKey of 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The InChIKey is LULNNEDDWROOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-24-22(14-21)15-23(26)16-25(24)27/h8-12,15-18H,2-7,13-14H2,1H3.
What are the key properties of 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene has a molecular weight of 366.50 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene is sourced from PubChem (CID 139949006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).