1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)

C15H12ClF2Rb — CID 58058638

IUPAC1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)
SMILESCc1ccc(CCc2cc[c-]c(Cl)c2F)cc1F.[Rb+]
InChIInChI=1S/C15H12ClF2.Rb/c1-10-5-6-11(9-14(10)17)7-8-12-3-2-4-13(16)15(12)18;/h2-3,5-6,9H,7-8H2,1H3;/q-1;+1
InChIKeyFHWKTVZTOWFLJR-UHFFFAOYSA-N
MW351.18 g/mol
LogP1.52
Rot. Bonds3

About 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)

1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+) (PubChem CID 58058638) has the molecular formula C15H12ClF2Rb and a molecular weight of 351.18 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+).

Molecular Properties

Compound Name1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)
PubChem CID58058638
Molecular FormulaC15H12ClF2Rb
Molecular Weight351.18 g/mol
Exact Mass349.97
IUPAC Name1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)
SMILESCc1ccc(CCc2cc[c-]c(Cl)c2F)cc1F.[Rb+]
InChIInChI=1S/C15H12ClF2.Rb/c1-10-5-6-11(9-14(10)17)7-8-12-3-2-4-13(16)15(12)18;/h2-3,5-6,9H,7-8H2,1H3;/q-1;+1
InChIKeyFHWKTVZTOWFLJR-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 51.52
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)?
The IUPAC name of 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+) (CID 58058638) is 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+).
What is the SMILES notation for 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)?
The canonical SMILES for 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+) is Cc1ccc(CCc2cc[c-]c(Cl)c2F)cc1F.[Rb+].
What is the InChIKey of 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)?
The InChIKey is FHWKTVZTOWFLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2.Rb/c1-10-5-6-11(9-14(10)17)7-8-12-3-2-4-13(16)15(12)18;/h2-3,5-6,9H,7-8H2,1H3;/q-1;+1.
What are the key properties of 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+)?
1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+) has a molecular weight of 351.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-[2-(3-fluoro-4-methylphenyl)ethyl]benzene-6-ide;rubidium(1+) is sourced from PubChem (CID 58058638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).