2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)

C22H28F3O2Rb — CID 59795424

IUPAC2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)
SMILESFC(F)(F)Oc1ccc2c(c1)OC(C1CCC(C3CC[CH-]CC3)CC1)CC2.[Rb+]
InChIInChI=1S/C22H28F3O2.Rb/c23-22(24,25)27-19-12-10-18-11-13-20(26-21(18)14-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1,10,12,14-17,20H,2-9,11,13H2;/q-1;+1
InChIKeyVQRRCCCRCILOLV-UHFFFAOYSA-N
MW466.93 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)

2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+) (PubChem CID 59795424) has the molecular formula C22H28F3O2Rb and a molecular weight of 466.93 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+).

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)
PubChem CID59795424
Molecular FormulaC22H28F3O2Rb
Molecular Weight466.93 g/mol
Exact Mass466.12
IUPAC Name2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)
SMILESFC(F)(F)Oc1ccc2c(c1)OC(C1CCC(C3CC[CH-]CC3)CC1)CC2.[Rb+]
InChIInChI=1S/C22H28F3O2.Rb/c23-22(24,25)27-19-12-10-18-11-13-20(26-21(18)14-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1,10,12,14-17,20H,2-9,11,13H2;/q-1;+1
InChIKeyVQRRCCCRCILOLV-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)?
The IUPAC name of 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+) (CID 59795424) is 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+).
What is the SMILES notation for 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)?
The canonical SMILES for 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+) is FC(F)(F)Oc1ccc2c(c1)OC(C1CCC(C3CC[CH-]CC3)CC1)CC2.[Rb+].
What is the InChIKey of 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)?
The InChIKey is VQRRCCCRCILOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3O2.Rb/c23-22(24,25)27-19-12-10-18-11-13-20(26-21(18)14-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1,10,12,14-17,20H,2-9,11,13H2;/q-1;+1.
What are the key properties of 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+)?
2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+) has a molecular weight of 466.93 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;rubidium(1+) is sourced from PubChem (CID 59795424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).