3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene

C18H23F — CID 139961417

IUPAC3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3cc(F)ccc3CC2)CC1
InChIInChI=1S/C18H23F/c1-2-13-3-5-14(6-4-13)16-8-7-15-9-10-18(19)12-17(15)11-16/h9-14H,2-8H2,1H3
InChIKeyMEFXXNICOYBCPL-UHFFFAOYSA-N
MW258.38 g/mol
LogP5.37
Rot. Bonds2

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

3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene (PubChem CID 139961417) has the molecular formula C18H23F and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
PubChem CID139961417
Molecular FormulaC18H23F
Molecular Weight258.38 g/mol
Exact Mass258.18
IUPAC Name3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3cc(F)ccc3CC2)CC1
InChIInChI=1S/C18H23F/c1-2-13-3-5-14(6-4-13)16-8-7-15-9-10-18(19)12-17(15)11-16/h9-14H,2-8H2,1H3
InChIKeyMEFXXNICOYBCPL-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961323
3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951874
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139848253
3-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-fluoro-1,2-dihydronaphthalene
CID 139961413
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-(7-fluoro-3,4-dihydronaphthalen-2-yl)ethanamine
CID 105445138
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917
3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
3-(4-pentylcyclohexyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139951864

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene (CID 139961417) is 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene is CCC1CCC(C2=Cc3cc(F)ccc3CC2)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene?
The InChIKey is MEFXXNICOYBCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F/c1-2-13-3-5-14(6-4-13)16-8-7-15-9-10-18(19)12-17(15)11-16/h9-14H,2-8H2,1H3.
What are the key properties of 3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene?
3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene has a molecular weight of 258.38 g/mol, XLogP of 5.37, 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-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139961417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).