1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)

C26H23F4Rb — CID 58058658

IUPAC1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
SMILESCc1ccc(-c2ccc(CC3CCC(c4cc[c-]c(F)c4F)CC3)cc2)c(F)c1F.[Rb+]
InChIInChI=1S/C26H23F4.Rb/c1-16-5-14-22(26(30)24(16)28)20-12-8-18(9-13-20)15-17-6-10-19(11-7-17)21-3-2-4-23(27)25(21)29;/h2-3,5,8-9,12-14,17,19H,6-7,10-11,15H2,1H3;/q-1;+1
InChIKeyDIWNHCQNUNUJOE-UHFFFAOYSA-N
MW496.93 g/mol
LogP4.54
Rot. Bonds4

About 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)

1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+) (PubChem CID 58058658) has the molecular formula C26H23F4Rb and a molecular weight of 496.93 g/mol. Its IUPAC name is 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+).

Molecular Properties

Compound Name1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
PubChem CID58058658
Molecular FormulaC26H23F4Rb
Molecular Weight496.93 g/mol
Exact Mass496.09
IUPAC Name1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
SMILESCc1ccc(-c2ccc(CC3CCC(c4cc[c-]c(F)c4F)CC3)cc2)c(F)c1F.[Rb+]
InChIInChI=1S/C26H23F4.Rb/c1-16-5-14-22(26(30)24(16)28)20-12-8-18(9-13-20)15-17-6-10-19(11-7-17)21-3-2-4-23(27)25(21)29;/h2-3,5,8-9,12-14,17,19H,6-7,10-11,15H2,1H3;/q-1;+1
InChIKeyDIWNHCQNUNUJOE-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.93
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+) 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

1-[4-[4-[(2,3-difluorobenzene-4-id-1-yl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
CID 58058567
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
2,3-difluoro-1-methyl-4-(4-propylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-propylphenyl)benzene
CID 159473916
1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 58058568
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159331661
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)?
The IUPAC name of 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+) (CID 58058658) is 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+).
What is the SMILES notation for 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)?
The canonical SMILES for 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+) is Cc1ccc(-c2ccc(CC3CCC(c4cc[c-]c(F)c4F)CC3)cc2)c(F)c1F.[Rb+].
What is the InChIKey of 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)?
The InChIKey is DIWNHCQNUNUJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4.Rb/c1-16-5-14-22(26(30)24(16)28)20-12-8-18(9-13-20)15-17-6-10-19(11-7-17)21-3-2-4-23(27)25(21)29;/h2-3,5,8-9,12-14,17,19H,6-7,10-11,15H2,1H3;/q-1;+1.
What are the key properties of 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)?
1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+) has a molecular weight of 496.93 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+) is sourced from PubChem (CID 58058658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).