6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C24H28F2 — CID 139852535

IUPAC6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCC(C2CCc3cc(-c4ccc(F)c(F)c4)ccc3C2)CC1
InChIInChI=1S/C24H28F2/c1-2-16-3-5-17(6-4-16)18-7-8-20-14-21(10-9-19(20)13-18)22-11-12-23(25)24(26)15-22/h9-12,14-18H,2-8,13H2,1H3
InChIKeyDSDLUAIUWNBPRL-UHFFFAOYSA-N
MW354.48 g/mol
LogP6.95
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852535) has the molecular formula C24H28F2 and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852535
Molecular FormulaC24H28F2
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Name6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCC(C2CCc3cc(-c4ccc(F)c(F)c4)ccc3C2)CC1
InChIInChI=1S/C24H28F2/c1-2-16-3-5-17(6-4-16)18-7-8-20-14-21(10-9-19(20)13-18)22-11-12-23(25)24(26)15-22/h9-12,14-18H,2-8,13H2,1H3
InChIKeyDSDLUAIUWNBPRL-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 22709061
4-[6-(4-butylcyclohexyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-fluorobenzonitrile
CID 139853417
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
2,6-difluoro-4-[6-[4-[(E)-pent-3-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzonitrile
CID 139852942
2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852148
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 58839727
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 139852535) is 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is CCC1CCC(C2CCc3cc(-c4ccc(F)c(F)c4)ccc3C2)CC1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DSDLUAIUWNBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2/c1-2-16-3-5-17(6-4-16)18-7-8-20-14-21(10-9-19(20)13-18)22-11-12-23(25)24(26)15-22/h9-12,14-18H,2-8,13H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 354.48 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).