4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)

C14H11F2ORb — CID 59942858

IUPAC4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)
SMILES[CH2-]Cc1ccc(-c2ccc(O)c(F)c2)cc1F.[Rb+]
InChIInChI=1S/C14H11F2O.Rb/c1-2-9-3-4-10(7-12(9)15)11-5-6-14(17)13(16)8-11;/h3-8,17H,1-2H2;/q-1;+1
InChIKeyBOMMDMQGMHNDKM-UHFFFAOYSA-N
MW318.71 g/mol
LogP0.72
Rot. Bonds2

About 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)

4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+) (PubChem CID 59942858) has the molecular formula C14H11F2ORb and a molecular weight of 318.71 g/mol. Its IUPAC name is 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+).

Molecular Properties

Compound Name4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)
PubChem CID59942858
Molecular FormulaC14H11F2ORb
Molecular Weight318.71 g/mol
Exact Mass317.99
IUPAC Name4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)
SMILES[CH2-]Cc1ccc(-c2ccc(O)c(F)c2)cc1F.[Rb+]
InChIInChI=1S/C14H11F2O.Rb/c1-2-9-3-4-10(7-12(9)15)11-5-6-14(17)13(16)8-11;/h3-8,17H,1-2H2;/q-1;+1
InChIKeyBOMMDMQGMHNDKM-UHFFFAOYSA-N
XLogP0.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)?
The IUPAC name of 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+) (CID 59942858) is 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+).
What is the SMILES notation for 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)?
The canonical SMILES for 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+) is [CH2-]Cc1ccc(-c2ccc(O)c(F)c2)cc1F.[Rb+].
What is the InChIKey of 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)?
The InChIKey is BOMMDMQGMHNDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2O.Rb/c1-2-9-3-4-10(7-12(9)15)11-5-6-14(17)13(16)8-11;/h3-8,17H,1-2H2;/q-1;+1.
What are the key properties of 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)?
4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+) has a molecular weight of 318.71 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+) is sourced from PubChem (CID 59942858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).