3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene

C28H33F3 — CID 139961149

IUPAC3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
SMILESCCCCC1CCC(CCC2=Cc3cc(F)c(-c4cccc(F)c4F)cc3CC2)CC1
InChIInChI=1S/C28H33F3/c1-2-3-5-19-8-10-20(11-9-19)12-13-21-14-15-22-17-25(27(30)18-23(22)16-21)24-6-4-7-26(29)28(24)31/h4,6-7,16-20H,2-3,5,8-15H2,1H3
InChIKeySHUWXNKNYAKFBC-UHFFFAOYSA-N
MW426.57 g/mol
LogP8.88
Rot. Bonds7

About 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene

3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene (PubChem CID 139961149) has the molecular formula C28H33F3 and a molecular weight of 426.57 g/mol. Its IUPAC name is 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
PubChem CID139961149
Molecular FormulaC28H33F3
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
SMILESCCCCC1CCC(CCC2=Cc3cc(F)c(-c4cccc(F)c4F)cc3CC2)CC1
InChIInChI=1S/C28H33F3/c1-2-3-5-19-8-10-20(11-9-19)12-13-21-14-15-22-17-25(27(30)18-23(22)16-21)24-6-4-7-26(29)28(24)31/h4,6-7,16-20H,2-3,5,8-15H2,1H3
InChIKeySHUWXNKNYAKFBC-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-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

3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960499
7-(2,3-difluorophenyl)-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960552
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
CID 139961393
3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139961465
7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene
CID 139960597
6,8-difluoro-7-(4-fluorophenyl)-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952031
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
3-[2-(4-butylcyclohexyl)ethyl]-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139952221
1,3-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 54557681
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960524

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene (CID 139961149) is 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene is CCCCC1CCC(CCC2=Cc3cc(F)c(-c4cccc(F)c4F)cc3CC2)CC1.
What is the InChIKey of 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene?
The InChIKey is SHUWXNKNYAKFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3/c1-2-3-5-19-8-10-20(11-9-19)12-13-21-14-15-22-17-25(27(30)18-23(22)16-21)24-6-4-7-26(29)28(24)31/h4,6-7,16-20H,2-3,5,8-15H2,1H3.
What are the key properties of 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene?
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene has a molecular weight of 426.57 g/mol, XLogP of 8.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139961149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).