[(2-fluorophenyl)-phenylmethyl]phosphonic acid

C13H12FO3P — CID 66796437

IUPAC[(2-fluorophenyl)-phenylmethyl]phosphonic acid
SMILESO=P(O)(O)C(c1ccccc1)c1ccccc1F
InChIInChI=1S/C13H12FO3P/c14-12-9-5-4-8-11(12)13(18(15,16)17)10-6-2-1-3-7-10/h1-9,13H,(H2,15,16,17)
InChIKeyYMJUWBPILFLSKS-UHFFFAOYSA-N
MW266.21 g/mol
LogP3.09
Rot. Bonds3

About [(2-fluorophenyl)-phenylmethyl]phosphonic acid

[(2-fluorophenyl)-phenylmethyl]phosphonic acid (PubChem CID 66796437) has the molecular formula C13H12FO3P and a molecular weight of 266.21 g/mol. Its IUPAC name is [(2-fluorophenyl)-phenylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-fluorophenyl)-phenylmethyl]phosphonic acid
PubChem CID66796437
Molecular FormulaC13H12FO3P
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name[(2-fluorophenyl)-phenylmethyl]phosphonic acid
SMILESO=P(O)(O)C(c1ccccc1)c1ccccc1F
InChIInChI=1S/C13H12FO3P/c14-12-9-5-4-8-11(12)13(18(15,16)17)10-6-2-1-3-7-10/h1-9,13H,(H2,15,16,17)
InChIKeyYMJUWBPILFLSKS-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 53.09
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-fluorophenyl)-phenylmethyl]phosphonic acid?
The IUPAC name of [(2-fluorophenyl)-phenylmethyl]phosphonic acid (CID 66796437) is [(2-fluorophenyl)-phenylmethyl]phosphonic acid.
What is the SMILES notation for [(2-fluorophenyl)-phenylmethyl]phosphonic acid?
The canonical SMILES for [(2-fluorophenyl)-phenylmethyl]phosphonic acid is O=P(O)(O)C(c1ccccc1)c1ccccc1F.
What is the InChIKey of [(2-fluorophenyl)-phenylmethyl]phosphonic acid?
The InChIKey is YMJUWBPILFLSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FO3P/c14-12-9-5-4-8-11(12)13(18(15,16)17)10-6-2-1-3-7-10/h1-9,13H,(H2,15,16,17).
What are the key properties of [(2-fluorophenyl)-phenylmethyl]phosphonic acid?
[(2-fluorophenyl)-phenylmethyl]phosphonic acid has a molecular weight of 266.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)-phenylmethyl]phosphonic acid is sourced from PubChem (CID 66796437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).