benzene;difluorophosphinic acid

C6H7F2O2P — CID 175464766

IUPACbenzene;difluorophosphinic acid
SMILESO=P(O)(F)F.c1ccccc1
InChIInChI=1S/C6H6.F2HO2P/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;(H,3,4)
InChIKeyOFGYZVCRKMCRII-UHFFFAOYSA-N
MW180.09 g/mol
LogP2.71
Rot. Bonds

About benzene;difluorophosphinic acid

benzene;difluorophosphinic acid (PubChem CID 175464766) has the molecular formula C6H7F2O2P and a molecular weight of 180.09 g/mol. Its IUPAC name is benzene;difluorophosphinic acid.

Molecular Properties

Compound Namebenzene;difluorophosphinic acid
PubChem CID175464766
Molecular FormulaC6H7F2O2P
Molecular Weight180.09 g/mol
Exact Mass180.02
IUPAC Namebenzene;difluorophosphinic acid
SMILESO=P(O)(F)F.c1ccccc1
InChIInChI=1S/C6H6.F2HO2P/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;(H,3,4)
InChIKeyOFGYZVCRKMCRII-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;difluorophosphinic acid
CID 172772125
bis(difluorophosphinic acid);hydrate
CID 56776517
CID 70504885
CID 70504885
calcium;benzene;hydride;phosphoric acid
CID 175005708
fluorophosphonic acid;zinc
CID 173113621
fluorophosphonic acid;dihydroiodide
CID 172705626
copper;fluorophosphonic acid
CID 173104152
alumane;fluorophosphonic acid
CID 173163644
hydrogen peroxide;phosphoric acid
CID 18509931
lithium;fluorophosphonic acid;fluoride
CID 158000068
alumane;azane;fluorophosphonic acid
CID 173036000
difluorophosphinic acid;isocyanic acid;oxalic acid
CID 175202268

Frequently Asked Questions

What is the IUPAC name of benzene;difluorophosphinic acid?
The IUPAC name of benzene;difluorophosphinic acid (CID 175464766) is benzene;difluorophosphinic acid.
What is the SMILES notation for benzene;difluorophosphinic acid?
The canonical SMILES for benzene;difluorophosphinic acid is O=P(O)(F)F.c1ccccc1.
What is the InChIKey of benzene;difluorophosphinic acid?
The InChIKey is OFGYZVCRKMCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.F2HO2P/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;(H,3,4).
What are the key properties of benzene;difluorophosphinic acid?
benzene;difluorophosphinic acid has a molecular weight of 180.09 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;difluorophosphinic acid is sourced from PubChem (CID 175464766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).