3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene

C24H26F2 — CID 139951917

IUPAC3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(c2ccc(C3=Cc4cc(F)cc(F)c4CC3)cc2)CC1
InChIInChI=1S/C24H26F2/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-23-21(13-20)14-22(25)15-24(23)26/h7-10,13-17H,2-6,11-12H2,1H3
InChIKeyIVLCEFNOAHGPJC-UHFFFAOYSA-N
MW352.47 g/mol
LogP7.14
Rot. Bonds3

About 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene

3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene (PubChem CID 139951917) has the molecular formula C24H26F2 and a molecular weight of 352.47 g/mol. Its IUPAC name is 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
PubChem CID139951917
Molecular FormulaC24H26F2
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
SMILESCCC1CCC(c2ccc(C3=Cc4cc(F)cc(F)c4CC3)cc2)CC1
InChIInChI=1S/C24H26F2/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-23-21(13-20)14-22(25)15-24(23)26/h7-10,13-17H,2-6,11-12H2,1H3
InChIKeyIVLCEFNOAHGPJC-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951874
6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,3-difluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139951958
7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960412
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 175685460
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
6,7,8-trifluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139952238

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene (CID 139951917) is 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene is CCC1CCC(c2ccc(C3=Cc4cc(F)cc(F)c4CC3)cc2)CC1.
What is the InChIKey of 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene?
The InChIKey is IVLCEFNOAHGPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-23-21(13-20)14-22(25)15-24(23)26/h7-10,13-17H,2-6,11-12H2,1H3.
What are the key properties of 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene?
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene has a molecular weight of 352.47 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139951917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).