dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride

C4HF9Li2O6S3 — CID 174143701

IUPACdilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride
SMILESO=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.[H-].[Li+].[Li+]
InChIInChI=1S/C4F9O6S3.2Li.H/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;;;/q-1;2*+1;-1
InChIKeyGAJJOGQLPYOFJG-UHFFFAOYSA-N
MW426.11 g/mol
LogP-4.64
Rot. Bonds3

About dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride

dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride (PubChem CID 174143701) has the molecular formula C4HF9Li2O6S3 and a molecular weight of 426.11 g/mol. Its IUPAC name is dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride.

Molecular Properties

Compound Namedilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride
PubChem CID174143701
Molecular FormulaC4HF9Li2O6S3
Molecular Weight426.11 g/mol
Exact Mass425.91
IUPAC Namedilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride
SMILESO=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.[H-].[Li+].[Li+]
InChIInChI=1S/C4F9O6S3.2Li.H/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;;;/q-1;2*+1;-1
InChIKeyGAJJOGQLPYOFJG-UHFFFAOYSA-N
XLogP-4.64
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 5-4.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)
CID 171930698
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 59440478
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;tetrabutylazanium
CID 159421082
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hexyl(trimethyl)azanium
CID 158275519
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;1,3,4-trimethylpyridin-1-ium
CID 158944221
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
calcium;hydride;trifluoromethanesulfonamide
CID 175005756
1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene
CID 177479465
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;1-butyl-3,4-dimethylpyridin-1-ium
CID 158640296
trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;trimethyl(octadecyl)azanium
CID 158816446
bis(4-tert-butylphenyl)iodanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 162111776

Frequently Asked Questions

What is the IUPAC name of dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride?
The IUPAC name of dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride (CID 174143701) is dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride.
What is the SMILES notation for dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride?
The canonical SMILES for dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride is O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.[H-].[Li+].[Li+].
What is the InChIKey of dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride?
The InChIKey is GAJJOGQLPYOFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9O6S3.2Li.H/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;;;/q-1;2*+1;-1.
What are the key properties of dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride?
dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride has a molecular weight of 426.11 g/mol, XLogP of -4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride is sourced from PubChem (CID 174143701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).