2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene

C24H26F4 — CID 145488504

IUPAC2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(-c2c(F)cc3c(c2F)CCC(CCC2CCCCC2)C3)cc1F
InChIInChI=1S/C24H26F4/c25-20-11-9-17(13-21(20)26)23-22(27)14-18-12-16(8-10-19(18)24(23)28)7-6-15-4-2-1-3-5-15/h9,11,13-16H,1-8,10,12H2
InChIKeyHUVHROIZNJBLIB-UHFFFAOYSA-N
MW390.46 g/mol
LogP7.38
Rot. Bonds4

About 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene

2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 145488504) has the molecular formula C24H26F4 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID145488504
Molecular FormulaC24H26F4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(-c2c(F)cc3c(c2F)CCC(CCC2CCCCC2)C3)cc1F
InChIInChI=1S/C24H26F4/c25-20-11-9-17(13-21(20)26)23-22(27)14-18-12-16(8-10-19(18)24(23)28)7-6-15-4-2-1-3-5-15/h9,11,13-16H,1-8,10,12H2
InChIKeyHUVHROIZNJBLIB-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 145488540
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852312
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852100
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
6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 22709061
5,7-difluoro-6-[4-[2-(3-fluoro-4-isothiocyanatophenyl)ethynyl]-3-methylphenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 169279822
6-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-5,7-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143726931
5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine
CID 54305977
2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
5,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848586
5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67685950

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene (CID 145488504) is 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene is Fc1ccc(-c2c(F)cc3c(c2F)CCC(CCC2CCCCC2)C3)cc1F.
What is the InChIKey of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HUVHROIZNJBLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4/c25-20-11-9-17(13-21(20)26)23-22(27)14-18-12-16(8-10-19(18)24(23)28)7-6-15-4-2-1-3-5-15/h9,11,13-16H,1-8,10,12H2.
What are the key properties of 2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene?
2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 390.46 g/mol, XLogP of 7.38, 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)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 145488504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).