2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene

C24H27F3 — CID 145488540

IUPAC2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(-c2ccc3c(c2F)CCC(CCC2CCCCC2)C3)cc1F
InChIInChI=1S/C24H27F3/c25-22-13-10-19(15-23(22)26)21-12-9-18-14-17(8-11-20(18)24(21)27)7-6-16-4-2-1-3-5-16/h9-10,12-13,15-17H,1-8,11,14H2
InChIKeySGJJYCSJRLVSKG-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.24
Rot. Bonds4

About 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene

2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 145488540) has the molecular formula C24H27F3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID145488540
Molecular FormulaC24H27F3
Molecular Weight372.47 g/mol
Exact Mass372.21
IUPAC Name2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(-c2ccc3c(c2F)CCC(CCC2CCCCC2)C3)cc1F
InChIInChI=1S/C24H27F3/c25-22-13-10-19(15-23(22)26)21-12-9-18-14-17(8-11-20(18)24(21)27)7-6-16-4-2-1-3-5-16/h9-10,12-13,15-17H,1-8,11,14H2
InChIKeySGJJYCSJRLVSKG-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 145488504
2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 22709061
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 58840200
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
2-[4-(4-ethoxybutyl)cyclohexyl]-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839903
5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849607
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320
5-fluoro-6-(4-fluorophenyl)-2-(4-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853005
2-[2-(4-pentylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840279

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene (CID 145488540) is 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene is Fc1ccc(-c2ccc3c(c2F)CCC(CCC2CCCCC2)C3)cc1F.
What is the InChIKey of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SGJJYCSJRLVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3/c25-22-13-10-19(15-23(22)26)21-12-9-18-14-17(8-11-20(18)24(21)27)7-6-16-4-2-1-3-5-16/h9-10,12-13,15-17H,1-8,11,14H2.
What are the key properties of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene?
2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 372.47 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 145488540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).