lithium;1,3-dioxolan-2-one;hexafluorophosphate

C3H4F6LiO3P — CID 146442279

IUPAClithium;1,3-dioxolan-2-one;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C1OCCO1.[Li+]
InChIInChI=1S/C3H4O3.F6P.Li/c4-3-5-1-2-6-3;1-7(2,3,4,5)6;/h1-2H2;;/q;-1;+1
InChIKeyKGZSRLOBZAZIII-UHFFFAOYSA-N
MW239.96 g/mol
LogP0.54
Rot. Bonds

About lithium;1,3-dioxolan-2-one;hexafluorophosphate

lithium;1,3-dioxolan-2-one;hexafluorophosphate (PubChem CID 146442279) has the molecular formula C3H4F6LiO3P and a molecular weight of 239.96 g/mol. Its IUPAC name is lithium;1,3-dioxolan-2-one;hexafluorophosphate.

Molecular Properties

Compound Namelithium;1,3-dioxolan-2-one;hexafluorophosphate
PubChem CID146442279
Molecular FormulaC3H4F6LiO3P
Molecular Weight239.96 g/mol
Exact Mass240.00
IUPAC Namelithium;1,3-dioxolan-2-one;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C1OCCO1.[Li+]
InChIInChI=1S/C3H4O3.F6P.Li/c4-3-5-1-2-6-3;1-7(2,3,4,5)6;/h1-2H2;;/q;-1;+1
InChIKeyKGZSRLOBZAZIII-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dioxolan-2-one
CID 7303
1,3-dioxolane;1,3-dioxolan-2-one
CID 160802648
trilithium;1,3-dioxolan-2-one;phosphate
CID 174955096
1,3,8,10-tetraoxacyclotetradecane-2,9-dione
CID 67254769
dilithium;1,3-dioxolan-2-one;hydrogen phosphate
CID 174896917
adamantane;1,3-dioxolan-2-one
CID 175094584
1,3-dioxolan-2-one;ethane;propane
CID 91581016
1,3-dioxolan-2-one;methoxymethane;hydrochloride
CID 173350365
carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride
CID 174971053
1,3-dioxacyclotetradecan-2-one
CID 22011560
1,3-dioxolan-2-one;pyrrolidine-2,5-dione
CID 66849817
acetonitrile;1,3-dioxolan-2-one
CID 69295192

Frequently Asked Questions

What is the IUPAC name of lithium;1,3-dioxolan-2-one;hexafluorophosphate?
The IUPAC name of lithium;1,3-dioxolan-2-one;hexafluorophosphate (CID 146442279) is lithium;1,3-dioxolan-2-one;hexafluorophosphate.
What is the SMILES notation for lithium;1,3-dioxolan-2-one;hexafluorophosphate?
The canonical SMILES for lithium;1,3-dioxolan-2-one;hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C1OCCO1.[Li+].
What is the InChIKey of lithium;1,3-dioxolan-2-one;hexafluorophosphate?
The InChIKey is KGZSRLOBZAZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.F6P.Li/c4-3-5-1-2-6-3;1-7(2,3,4,5)6;/h1-2H2;;/q;-1;+1.
What are the key properties of lithium;1,3-dioxolan-2-one;hexafluorophosphate?
lithium;1,3-dioxolan-2-one;hexafluorophosphate has a molecular weight of 239.96 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,3-dioxolan-2-one;hexafluorophosphate is sourced from PubChem (CID 146442279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).