1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)

C14H17F2ORb — CID 58058726

IUPAC1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
SMILESCC1CCC(COc2cc[c-]c(F)c2F)CC1.[Rb+]
InChIInChI=1S/C14H17F2O.Rb/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16;/h2,4,10-11H,5-9H2,1H3;/q-1;+1
InChIKeyOACXPVBOLMKVPR-UHFFFAOYSA-N
MW324.75 g/mol
LogP0.97
Rot. Bonds3

About 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)

1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) (PubChem CID 58058726) has the molecular formula C14H17F2ORb and a molecular weight of 324.75 g/mol. Its IUPAC name is 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+).

Molecular Properties

Compound Name1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
PubChem CID58058726
Molecular FormulaC14H17F2ORb
Molecular Weight324.75 g/mol
Exact Mass324.04
IUPAC Name1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
SMILESCC1CCC(COc2cc[c-]c(F)c2F)CC1.[Rb+]
InChIInChI=1S/C14H17F2O.Rb/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16;/h2,4,10-11H,5-9H2,1H3;/q-1;+1
InChIKeyOACXPVBOLMKVPR-UHFFFAOYSA-N
XLogP0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
The IUPAC name of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) (CID 58058726) is 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+).
What is the SMILES notation for 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
The canonical SMILES for 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) is CC1CCC(COc2cc[c-]c(F)c2F)CC1.[Rb+].
What is the InChIKey of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
The InChIKey is OACXPVBOLMKVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2O.Rb/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16;/h2,4,10-11H,5-9H2,1H3;/q-1;+1.
What are the key properties of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) has a molecular weight of 324.75 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) is sourced from PubChem (CID 58058726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).