3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene

C24H25F3 — CID 139951874

IUPAC3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3cc(F)c(-c4ccc(F)cc4)c(F)c3CC2)CC1
InChIInChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)18-9-12-21-19(13-18)14-22(26)23(24(21)27)17-7-10-20(25)11-8-17/h7-8,10-11,13-16H,2-6,9,12H2,1H3
InChIKeyBPFCOYPAURINDB-UHFFFAOYSA-N
MW370.46 g/mol
LogP7.32
Rot. Bonds3

About 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene

3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene (PubChem CID 139951874) has the molecular formula C24H25F3 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
PubChem CID139951874
Molecular FormulaC24H25F3
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
SMILESCCC1CCC(C2=Cc3cc(F)c(-c4ccc(F)cc4)c(F)c3CC2)CC1
InChIInChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)18-9-12-21-19(13-18)14-22(26)23(24(21)27)17-7-10-20(25)11-8-17/h7-8,10-11,13-16H,2-6,9,12H2,1H3
InChIKeyBPFCOYPAURINDB-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320
3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961417
6,8-difluoro-7-(4-fluorophenyl)-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952031
3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961323
3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951883
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917
6,8-difluoro-3-[2-(4-propylcyclohexyl)ethyl]-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952159
8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene
CID 139960593
2-(4-ethyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852466
6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,3-difluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139951958
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene (CID 139951874) is 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene is CCC1CCC(C2=Cc3cc(F)c(-c4ccc(F)cc4)c(F)c3CC2)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
The InChIKey is BPFCOYPAURINDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3/c1-2-15-3-5-16(6-4-15)18-9-12-21-19(13-18)14-22(26)23(24(21)27)17-7-10-20(25)11-8-17/h7-8,10-11,13-16H,2-6,9,12H2,1H3.
What are the key properties of 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene?
3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene has a molecular weight of 370.46 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139951874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).