lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid

C5H6F8LiO5P — CID 174877964

IUPAClithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid
SMILESCC(F)(F)C(F)(F)C(F)(F)C([O-])(F)F.O=P(O)(O)O.[Li+]
InChIInChI=1S/C5H3F8O.Li.H3O4P/c1-2(6,7)3(8,9)4(10,11)5(12,13)14;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyHMXJIMFIILNQPP-UHFFFAOYSA-N
MW336.00 g/mol
LogP-2.06
Rot. Bonds3

About lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid

lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid (PubChem CID 174877964) has the molecular formula C5H6F8LiO5P and a molecular weight of 336.00 g/mol. Its IUPAC name is lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid.

Molecular Properties

Compound Namelithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid
PubChem CID174877964
Molecular FormulaC5H6F8LiO5P
Molecular Weight336.00 g/mol
Exact Mass336.00
IUPAC Namelithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid
SMILESCC(F)(F)C(F)(F)C(F)(F)C([O-])(F)F.O=P(O)(O)O.[Li+]
InChIInChI=1S/C5H3F8O.Li.H3O4P/c1-2(6,7)3(8,9)4(10,11)5(12,13)14;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyHMXJIMFIILNQPP-UHFFFAOYSA-N
XLogP-2.06
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
CID 170558309
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1,1-difluoroethylphosphonic acid
CID 23183684
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CID 175326107
2,2,3,3,4,4-hexafluoropentane
CID 18188371
tetralithium;phosphoric acid
CID 175822939
bromo(trifluoro)methane;phosphoric acid
CID 172736690
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
lithium;1,1,1,2,2-pentafluoroethane;phosphoric acid
CID 162308540
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
CID 167303486
trilithium;phosphoric acid;phosphate
CID 158468021

Frequently Asked Questions

What is the IUPAC name of lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid?
The IUPAC name of lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid (CID 174877964) is lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid.
What is the SMILES notation for lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid?
The canonical SMILES for lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid is CC(F)(F)C(F)(F)C(F)(F)C([O-])(F)F.O=P(O)(O)O.[Li+].
What is the InChIKey of lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid?
The InChIKey is HMXJIMFIILNQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F8O.Li.H3O4P/c1-2(6,7)3(8,9)4(10,11)5(12,13)14;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid?
lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid has a molecular weight of 336.00 g/mol, XLogP of -2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid is sourced from PubChem (CID 174877964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).