5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

C25H36F2 — CID 122609107

IUPAC5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(CCC2CCC(C3CCc4c(ccc(F)c4F)C3)CC2)CC1
InChIInChI=1S/C25H36F2/c1-17-2-4-18(5-3-17)6-7-19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(26)25(23)27/h13,15,17-21H,2-12,14,16H2,1H3
InChIKeyDKBPWNBNTGYEKS-UHFFFAOYSA-N
MW374.56 g/mol
LogP7.48
Rot. Bonds4

About 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 122609107) has the molecular formula C25H36F2 and a molecular weight of 374.56 g/mol. Its IUPAC name is 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID122609107
Molecular FormulaC25H36F2
Molecular Weight374.56 g/mol
Exact Mass374.28
IUPAC Name5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(CCC2CCC(C3CCc4c(ccc(F)c4F)C3)CC2)CC1
InChIInChI=1S/C25H36F2/c1-17-2-4-18(5-3-17)6-7-19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(26)25(23)27/h13,15,17-21H,2-12,14,16H2,1H3
InChIKeyDKBPWNBNTGYEKS-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-difluoro-2-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139869718
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 58840200
6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853435
2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
6,7,8-trifluoro-2-(4-methylcyclohexyl)-1,2,3,4-tetrahydrophenanthrene
CID 59889698
5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853005
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
5,6,7-trifluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139866393
2-[4-(4-ethoxybutyl)cyclohexyl]-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839903
5-fluoro-2-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139866001
2-[4-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139866121
5-fluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139865787

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 122609107) is 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is CC1CCC(CCC2CCC(C3CCc4c(ccc(F)c4F)C3)CC2)CC1.
What is the InChIKey of 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DKBPWNBNTGYEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F2/c1-17-2-4-18(5-3-17)6-7-19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(26)25(23)27/h13,15,17-21H,2-12,14,16H2,1H3.
What are the key properties of 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 374.56 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 122609107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).