dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane

C2H2F5Li2O4P — CID 174718444

IUPACdilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
SMILESFC(F)C(F)(F)F.O=P([O-])([O-])O.[Li+].[Li+]
InChIInChI=1S/C2HF5.2Li.H3O4P/c3-1(4)2(5,6)7;;;1-5(2,3)4/h1H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZXENWMKIZPYNJO-UHFFFAOYSA-L
MW229.88 g/mol
LogP-6.37
Rot. Bonds

About dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane

dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane (PubChem CID 174718444) has the molecular formula C2H2F5Li2O4P and a molecular weight of 229.88 g/mol. Its IUPAC name is dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane.

Molecular Properties

Compound Namedilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
PubChem CID174718444
Molecular FormulaC2H2F5Li2O4P
Molecular Weight229.88 g/mol
Exact Mass229.99
IUPAC Namedilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
SMILESFC(F)C(F)(F)F.O=P([O-])([O-])O.[Li+].[Li+]
InChIInChI=1S/C2HF5.2Li.H3O4P/c3-1(4)2(5,6)7;;;1-5(2,3)4/h1H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZXENWMKIZPYNJO-UHFFFAOYSA-L
XLogP-6.37
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.88
LogP ≤ 5-6.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175520186
CID 175520186
dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CID 175326107
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
CID 146226075
CID 146226075
trisodium;hydrogen phosphate;methanolate
CID 174908769
dilithium;difluoroborinic acid;hydrogen phosphate
CID 175292339
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
bis(chromium(3+));hydrogen phosphate
CID 19708255
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
hafnium;hydrogen phosphate
CID 160536753
lithium;dihydrogen phosphate;hydrate
CID 162740181
pentaaluminum;hydrogen phosphate;triphosphate
CID 174876626

Frequently Asked Questions

What is the IUPAC name of dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane?
The IUPAC name of dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane (CID 174718444) is dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane.
What is the SMILES notation for dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane?
The canonical SMILES for dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane is FC(F)C(F)(F)F.O=P([O-])([O-])O.[Li+].[Li+].
What is the InChIKey of dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane?
The InChIKey is ZXENWMKIZPYNJO-UHFFFAOYSA-L. The full InChI is InChI=1S/C2HF5.2Li.H3O4P/c3-1(4)2(5,6)7;;;1-5(2,3)4/h1H;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane?
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane has a molecular weight of 229.88 g/mol, XLogP of -6.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane is sourced from PubChem (CID 174718444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).