carbonic acid;difluorophosphinic acid

CH3F2O5P — CID 172772125

IUPACcarbonic acid;difluorophosphinic acid
SMILESO=C(O)O.O=P(O)(F)F
InChIInChI=1S/CH2O3.F2HO2P/c2-1(3)4;1-5(2,3)4/h(H2,2,3,4);(H,3,4)
InChIKeyNCGGLFWXLJHRCU-UHFFFAOYSA-N
MW164.00 g/mol
LogP1.25
Rot. Bonds

About carbonic acid;difluorophosphinic acid

carbonic acid;difluorophosphinic acid (PubChem CID 172772125) has the molecular formula CH3F2O5P and a molecular weight of 164.00 g/mol. Its IUPAC name is carbonic acid;difluorophosphinic acid.

Molecular Properties

Compound Namecarbonic acid;difluorophosphinic acid
PubChem CID172772125
Molecular FormulaCH3F2O5P
Molecular Weight164.00 g/mol
Exact Mass163.97
IUPAC Namecarbonic acid;difluorophosphinic acid
SMILESO=C(O)O.O=P(O)(F)F
InChIInChI=1S/CH2O3.F2HO2P/c2-1(3)4;1-5(2,3)4/h(H2,2,3,4);(H,3,4)
InChIKeyNCGGLFWXLJHRCU-UHFFFAOYSA-N
XLogP1.25
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.00
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;difluorophosphinic acid
CID 175464766
bis(difluorophosphinic acid);hydrate
CID 56776517
difluorophosphinic acid;isocyanic acid;oxalic acid
CID 175202268
strontium;carbonic acid;hydride;phosphoric acid
CID 173338489
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
alumane;fluorophosphonic acid
CID 173163644
copper;fluorophosphonic acid
CID 173104152
fluorophosphonic acid;2,2,2-trifluoroacetic acid
CID 173131932
pentacalcium;carbonic acid;hydride;phosphoric acid;dihydrate
CID 174918708
boric acid;carbonic acid;phosphoric acid
CID 160607615
sodium;carbonic acid;hydride;iron;phosphoric acid
CID 175192038

Frequently Asked Questions

What is the IUPAC name of carbonic acid;difluorophosphinic acid?
The IUPAC name of carbonic acid;difluorophosphinic acid (CID 172772125) is carbonic acid;difluorophosphinic acid.
What is the SMILES notation for carbonic acid;difluorophosphinic acid?
The canonical SMILES for carbonic acid;difluorophosphinic acid is O=C(O)O.O=P(O)(F)F.
What is the InChIKey of carbonic acid;difluorophosphinic acid?
The InChIKey is NCGGLFWXLJHRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.F2HO2P/c2-1(3)4;1-5(2,3)4/h(H2,2,3,4);(H,3,4).
What are the key properties of carbonic acid;difluorophosphinic acid?
carbonic acid;difluorophosphinic acid has a molecular weight of 164.00 g/mol, XLogP of 1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;difluorophosphinic acid is sourced from PubChem (CID 172772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).