3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene

C18H22F2 — CID 139961323

IUPAC3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3cc(F)c(F)cc3CC2)CC1
InChIInChI=1S/C18H22F2/c1-2-12-3-5-13(6-4-12)14-7-8-15-10-17(19)18(20)11-16(15)9-14/h9-13H,2-8H2,1H3
InChIKeyOFHHRDBGVVEQNK-UHFFFAOYSA-N
MW276.37 g/mol
LogP5.51
Rot. Bonds2

About 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene

3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene (PubChem CID 139961323) has the molecular formula C18H22F2 and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
PubChem CID139961323
Molecular FormulaC18H22F2
Molecular Weight276.37 g/mol
Exact Mass276.17
IUPAC Name3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3cc(F)c(F)cc3CC2)CC1
InChIInChI=1S/C18H22F2/c1-2-12-3-5-13(6-4-12)14-7-8-15-10-17(19)18(20)11-16(15)9-14/h9-13H,2-8H2,1H3
InChIKeyOFHHRDBGVVEQNK-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961417
3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951874
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
3-(4-pentylcyclohexyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139951864
8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene
CID 139960593
6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
CID 139961393
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene (CID 139961323) is 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene is CCC1CCC(C2=Cc3cc(F)c(F)cc3CC2)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene?
The InChIKey is OFHHRDBGVVEQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2/c1-2-12-3-5-13(6-4-12)14-7-8-15-10-17(19)18(20)11-16(15)9-14/h9-13H,2-8H2,1H3.
What are the key properties of 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene?
3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene has a molecular weight of 276.37 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139961323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).