1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)

C13H16FY2- — CID 18720964

IUPAC1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)
SMILESCC1CCC(c2cc[c-]c(F)c2)CC1.[Y].[Y]
InChIInChI=1S/C13H16F.2Y/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;;/h2-3,9-11H,5-8H2,1H3;;/q-1;;
InChIKeyHJBXFXSMQAZRRG-UHFFFAOYSA-N
MW369.08 g/mol
LogP3.91
Rot. Bonds1

About 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)

1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium) (PubChem CID 18720964) has the molecular formula C13H16FY2- and a molecular weight of 369.08 g/mol. Its IUPAC name is 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium).

Molecular Properties

Compound Name1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)
PubChem CID18720964
Molecular FormulaC13H16FY2-
Molecular Weight369.08 g/mol
Exact Mass368.94
IUPAC Name1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)
SMILESCC1CCC(c2cc[c-]c(F)c2)CC1.[Y].[Y]
InChIInChI=1S/C13H16F.2Y/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;;/h2-3,9-11H,5-8H2,1H3;;/q-1;;
InChIKeyHJBXFXSMQAZRRG-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)?
The IUPAC name of 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium) (CID 18720964) is 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium).
What is the SMILES notation for 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)?
The canonical SMILES for 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium) is CC1CCC(c2cc[c-]c(F)c2)CC1.[Y].[Y].
What is the InChIKey of 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)?
The InChIKey is HJBXFXSMQAZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F.2Y/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;;/h2-3,9-11H,5-8H2,1H3;;/q-1;;.
What are the key properties of 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)?
1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium) has a molecular weight of 369.08 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium) is sourced from PubChem (CID 18720964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).