2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)

C22H30FO2Rb — CID 59795327

IUPAC2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)
SMILESFc1ccc2c(c1)OC(C1CCC(COC3CC[CH-]CC3)CC1)CC2.[Rb+]
InChIInChI=1S/C22H30FO2.Rb/c23-19-12-10-18-11-13-21(25-22(18)14-19)17-8-6-16(7-9-17)15-24-20-4-2-1-3-5-20;/h1,10,12,14,16-17,20-21H,2-9,11,13,15H2;/q-1;+1
InChIKeyMCNWHHNBDPRRFA-UHFFFAOYSA-N
MW430.95 g/mol
LogP2.49
Rot. Bonds4

About 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)

2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+) (PubChem CID 59795327) has the molecular formula C22H30FO2Rb and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+).

Molecular Properties

Compound Name2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)
PubChem CID59795327
Molecular FormulaC22H30FO2Rb
Molecular Weight430.95 g/mol
Exact Mass430.13
IUPAC Name2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)
SMILESFc1ccc2c(c1)OC(C1CCC(COC3CC[CH-]CC3)CC1)CC2.[Rb+]
InChIInChI=1S/C22H30FO2.Rb/c23-19-12-10-18-11-13-21(25-22(18)14-19)17-8-6-16(7-9-17)15-24-20-4-2-1-3-5-20;/h1,10,12,14,16-17,20-21H,2-9,11,13,15H2;/q-1;+1
InChIKeyMCNWHHNBDPRRFA-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 52.49
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-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)?
The IUPAC name of 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+) (CID 59795327) is 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+).
What is the SMILES notation for 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)?
The canonical SMILES for 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+) is Fc1ccc2c(c1)OC(C1CCC(COC3CC[CH-]CC3)CC1)CC2.[Rb+].
What is the InChIKey of 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)?
The InChIKey is MCNWHHNBDPRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FO2.Rb/c23-19-12-10-18-11-13-21(25-22(18)14-19)17-8-6-16(7-9-17)15-24-20-4-2-1-3-5-20;/h1,10,12,14,16-17,20-21H,2-9,11,13,15H2;/q-1;+1.
What are the key properties of 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+)?
2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+) has a molecular weight of 430.95 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexyloxymethyl)cyclohexyl]-7-fluoro-3,4-dihydro-2H-chromene;rubidium(1+) is sourced from PubChem (CID 59795327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).