[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid

C2H5F4O8P3 — CID 102047871

IUPAC[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)P(=O)(O)C(F)(F)P(=O)(O)O
InChIInChI=1S/C2H5F4O8P3/c3-1(4,16(9,10)11)15(7,8)2(5,6)17(12,13)14/h(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyDOZYWAZXPHUYAL-UHFFFAOYSA-N
MW325.97 g/mol
LogP0.71
Rot. Bonds4

About [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid

[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid (PubChem CID 102047871) has the molecular formula C2H5F4O8P3 and a molecular weight of 325.97 g/mol. Its IUPAC name is [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid.

Molecular Properties

Compound Name[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
PubChem CID102047871
Molecular FormulaC2H5F4O8P3
Molecular Weight325.97 g/mol
Exact Mass325.91
IUPAC Name[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)P(=O)(O)C(F)(F)P(=O)(O)O
InChIInChI=1S/C2H5F4O8P3/c3-1(4,16(9,10)11)15(7,8)2(5,6)17(12,13)14/h(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyDOZYWAZXPHUYAL-UHFFFAOYSA-N
XLogP0.71
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 50.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroethylphosphonic acid
CID 23183684
[dibromo(fluoro)methyl]phosphonic acid
CID 143170448
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
[difluoro-[hydroxy(sulfooxy)phosphoryl]methyl]phosphonic acid
CID 87348536
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
CID 53432341
bromo(trifluoro)methane;phosphoric acid
CID 172736690
[dimethylphosphoryl(difluoro)methyl]-methylphosphinic acid
CID 59892707
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
CID 163324645
1,1,1,2,2,3,4,4,5,5,5-undecafluoropentan-3-ylphosphonic acid
CID 87154822
sodium;phosphoric acid;1,1,1-trifluoroethane
CID 172730635
triphosphonomethylphosphonic acid
CID 23341767
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965

Frequently Asked Questions

What is the IUPAC name of [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid?
The IUPAC name of [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid (CID 102047871) is [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid.
What is the SMILES notation for [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid?
The canonical SMILES for [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid is O=P(O)(O)C(F)(F)P(=O)(O)C(F)(F)P(=O)(O)O.
What is the InChIKey of [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid?
The InChIKey is DOZYWAZXPHUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F4O8P3/c3-1(4,16(9,10)11)15(7,8)2(5,6)17(12,13)14/h(H,7,8)(H2,9,10,11)(H2,12,13,14).
What are the key properties of [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid?
[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid has a molecular weight of 325.97 g/mol, XLogP of 0.71, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid is sourced from PubChem (CID 102047871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).