[2,3-bis(2-fluorophenyl)phenyl]phosphonic acid

C18H13F2O3P — CID 66796961

IUPAC[2,3-bis(2-fluorophenyl)phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2ccccc2F)c1-c1ccccc1F
InChIInChI=1S/C18H13F2O3P/c19-15-9-3-1-6-12(15)13-8-5-11-17(24(21,22)23)18(13)14-7-2-4-10-16(14)20/h1-11H,(H2,21,22,23)
InChIKeyLOMPZYNLZSIWPB-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.10
Rot. Bonds3

About [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid

[2,3-bis(2-fluorophenyl)phenyl]phosphonic acid (PubChem CID 66796961) has the molecular formula C18H13F2O3P and a molecular weight of 346.27 g/mol. Its IUPAC name is [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[2,3-bis(2-fluorophenyl)phenyl]phosphonic acid
PubChem CID66796961
Molecular FormulaC18H13F2O3P
Molecular Weight346.27 g/mol
Exact Mass346.06
IUPAC Name[2,3-bis(2-fluorophenyl)phenyl]phosphonic acid
SMILESO=P(O)(O)c1cccc(-c2ccccc2F)c1-c1ccccc1F
InChIInChI=1S/C18H13F2O3P/c19-15-9-3-1-6-12(15)13-8-5-11-17(24(21,22)23)18(13)14-7-2-4-10-16(14)20/h1-11H,(H2,21,22,23)
InChIKeyLOMPZYNLZSIWPB-UHFFFAOYSA-N
XLogP4.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid?
The IUPAC name of [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid (CID 66796961) is [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid.
What is the SMILES notation for [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid?
The canonical SMILES for [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid is O=P(O)(O)c1cccc(-c2ccccc2F)c1-c1ccccc1F.
What is the InChIKey of [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid?
The InChIKey is LOMPZYNLZSIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2O3P/c19-15-9-3-1-6-12(15)13-8-5-11-17(24(21,22)23)18(13)14-7-2-4-10-16(14)20/h1-11H,(H2,21,22,23).
What are the key properties of [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid?
[2,3-bis(2-fluorophenyl)phenyl]phosphonic acid has a molecular weight of 346.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-fluorophenyl)phenyl]phosphonic acid is sourced from PubChem (CID 66796961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).