phosphoric acid;hydrochloride;dihydrofluoride

H6ClF2O4P — CID 174058844

IUPACphosphoric acid;hydrochloride;dihydrofluoride
SMILESCl.F.F.O=P(O)(O)O
InChIInChI=1S/ClH.2FH.H3O4P/c;;;1-5(2,3)4/h3*1H;(H3,1,2,3,4)
InChIKeyQYANKYHPDBTNJW-UHFFFAOYSA-N
MW174.47 g/mol
LogP-0.20
Rot. Bonds

About phosphoric acid;hydrochloride;dihydrofluoride

phosphoric acid;hydrochloride;dihydrofluoride (PubChem CID 174058844) has the molecular formula H6ClF2O4P and a molecular weight of 174.47 g/mol. Its IUPAC name is phosphoric acid;hydrochloride;dihydrofluoride.

Molecular Properties

Compound Namephosphoric acid;hydrochloride;dihydrofluoride
PubChem CID174058844
Molecular FormulaH6ClF2O4P
Molecular Weight174.47 g/mol
Exact Mass173.97
IUPAC Namephosphoric acid;hydrochloride;dihydrofluoride
SMILESCl.F.F.O=P(O)(O)O
InChIInChI=1S/ClH.2FH.H3O4P/c;;;1-5(2,3)4/h3*1H;(H3,1,2,3,4)
InChIKeyQYANKYHPDBTNJW-UHFFFAOYSA-N
XLogP-0.20
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.47
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phosphane;phosphoric acid;hexahydrochloride
CID 175124967
azane;phosphoric acid;dihydrochloride
CID 173049818
phosphoric acid;vanadium;trihydrofluoride
CID 175054980
sodium;hydride;phosphoric acid;hexahydrofluoride
CID 173078699
potassium;hydride;phosphoric acid;dihydrofluoride
CID 175199882
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
potassium;phosphoric acid;fluoride;hydrofluoride
CID 172737762
lithium;hydride;phosphoric acid;dihydrofluoride
CID 175073980
sodium;hydride;phosphoric acid;hexahydrochloride
CID 174230021
beryllium;hydride;phosphoric acid;hydrofluoride
CID 173435189
phosphoric acid;octahydrate
CID 173160172
phosphoric acid;titanium
CID 173034953

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;hydrochloride;dihydrofluoride?
The IUPAC name of phosphoric acid;hydrochloride;dihydrofluoride (CID 174058844) is phosphoric acid;hydrochloride;dihydrofluoride.
What is the SMILES notation for phosphoric acid;hydrochloride;dihydrofluoride?
The canonical SMILES for phosphoric acid;hydrochloride;dihydrofluoride is Cl.F.F.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;hydrochloride;dihydrofluoride?
The InChIKey is QYANKYHPDBTNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.2FH.H3O4P/c;;;1-5(2,3)4/h3*1H;(H3,1,2,3,4).
What are the key properties of phosphoric acid;hydrochloride;dihydrofluoride?
phosphoric acid;hydrochloride;dihydrofluoride has a molecular weight of 174.47 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;hydrochloride;dihydrofluoride is sourced from PubChem (CID 174058844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).