[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid

C7H5BrF3O3P — CID 11645166

IUPAC[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc(F)cc1Br
InChIInChI=1S/C7H5BrF3O3P/c8-6-3-4(9)1-2-5(6)7(10,11)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyLZZYKIFPEUOMJK-UHFFFAOYSA-N
MW304.99 g/mol
LogP2.82
Rot. Bonds2

About [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid

[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid (PubChem CID 11645166) has the molecular formula C7H5BrF3O3P and a molecular weight of 304.99 g/mol. Its IUPAC name is [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid
PubChem CID11645166
Molecular FormulaC7H5BrF3O3P
Molecular Weight304.99 g/mol
Exact Mass303.91
IUPAC Name[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc(F)cc1Br
InChIInChI=1S/C7H5BrF3O3P/c8-6-3-4(9)1-2-5(6)7(10,11)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyLZZYKIFPEUOMJK-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.99
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[2-bromo-4-[(2-bromo-5-fluorophenyl)methylsulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid
CID 10311567
[[2-bromo-4-[(4-fluorophenoxy)methyl]phenyl]-difluoromethyl]phosphonic acid
CID 10179796
[[2-bromo-4-(cyclopropylmethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid
CID 10293559
[[4-[2-(benzenesulfonamido)ethyl]-2-bromophenyl]-difluoromethyl]phosphonic acid
CID 11677150
[[2-bromo-4-(2-piperidin-1-ylethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid
CID 18374506
[1-[4-[[N-[[3-bromo-4-[difluoro(phosphono)methyl]phenyl]methyl]anilino]methyl]phenyl]-1-fluoroethyl]phosphonic acid
CID 143170583
[(2-bromo-3-methylphenyl)-difluoromethyl]phosphonic acid
CID 11652357
[(6-bromo-2-carbamoyl-1-benzothiophen-5-yl)-difluoromethyl]phosphonic acid
CID 118343178
[[2-bromo-4-[1-[(E)-3-phenylprop-2-enyl]sulfanylethyl]phenyl]-difluoromethyl]phosphonic acid
CID 18342275
[[2-bromo-4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid
CID 18342328
[(2-chlorophenyl)-difluoromethyl]phosphonic acid
CID 91535582
[[2-bromo-4-[(1-phenyl-2-pyridin-4-ylethyl)sulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid
CID 18342279

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid?
The IUPAC name of [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid (CID 11645166) is [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid.
What is the SMILES notation for [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid?
The canonical SMILES for [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid is O=P(O)(O)C(F)(F)c1ccc(F)cc1Br.
What is the InChIKey of [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid?
The InChIKey is LZZYKIFPEUOMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3O3P/c8-6-3-4(9)1-2-5(6)7(10,11)15(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid?
[(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid has a molecular weight of 304.99 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-fluorophenyl)-difluoromethyl]phosphonic acid is sourced from PubChem (CID 11645166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).