[difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid

C14H13F2O4P — CID 72705068

IUPAC[difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid
SMILESCOc1ccccc1-c1cccc(C(F)(F)P(=O)(O)O)c1
InChIInChI=1S/C14H13F2O4P/c1-20-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15,16)21(17,18)19/h2-9H,1H3,(H2,17,18,19)
InChIKeyVFUPFNMHBZITGI-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.59
Rot. Bonds4

About [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid

[difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid (PubChem CID 72705068) has the molecular formula C14H13F2O4P and a molecular weight of 314.22 g/mol. Its IUPAC name is [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid.

Molecular Properties

Compound Name[difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid
PubChem CID72705068
Molecular FormulaC14H13F2O4P
Molecular Weight314.22 g/mol
Exact Mass314.05
IUPAC Name[difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid
SMILESCOc1ccccc1-c1cccc(C(F)(F)P(=O)(O)O)c1
InChIInChI=1S/C14H13F2O4P/c1-20-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15,16)21(17,18)19/h2-9H,1H3,(H2,17,18,19)
InChIKeyVFUPFNMHBZITGI-UHFFFAOYSA-N
XLogP3.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid?
The IUPAC name of [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid (CID 72705068) is [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid.
What is the SMILES notation for [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid?
The canonical SMILES for [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid is COc1ccccc1-c1cccc(C(F)(F)P(=O)(O)O)c1.
What is the InChIKey of [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid?
The InChIKey is VFUPFNMHBZITGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2O4P/c1-20-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15,16)21(17,18)19/h2-9H,1H3,(H2,17,18,19).
What are the key properties of [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid?
[difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid has a molecular weight of 314.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[3-(2-methoxyphenyl)phenyl]methyl]phosphonic acid is sourced from PubChem (CID 72705068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).