dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide

C15H8F6Li2S2 — CID 177424625

IUPACdilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide
SMILESCc1s[c-]cc1C1=C(c2c[c-]sc2C)C(F)(F)C(F)(F)C1(F)F.[Li+].[Li+]
InChIInChI=1S/C15H8F6S2.2Li/c1-7-9(3-5-22-7)11-12(10-4-6-23-8(10)2)14(18,19)15(20,21)13(11,16)17;;/h3-4H,1-2H3;;/q-2;2*+1
InChIKeyQIRZESUKDPTFMC-UHFFFAOYSA-N
MW380.23 g/mol
LogP-0.13
Rot. Bonds2

About dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide

dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide (PubChem CID 177424625) has the molecular formula C15H8F6Li2S2 and a molecular weight of 380.23 g/mol. Its IUPAC name is dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide.

Molecular Properties

Compound Namedilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide
PubChem CID177424625
Molecular FormulaC15H8F6Li2S2
Molecular Weight380.23 g/mol
Exact Mass380.03
IUPAC Namedilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide
SMILESCc1s[c-]cc1C1=C(c2c[c-]sc2C)C(F)(F)C(F)(F)C1(F)F.[Li+].[Li+]
InChIInChI=1S/C15H8F6S2.2Li/c1-7-9(3-5-22-7)11-12(10-4-6-23-8(10)2)14(18,19)15(20,21)13(11,16)17;;/h3-4H,1-2H3;;/q-2;2*+1
InChIKeyQIRZESUKDPTFMC-UHFFFAOYSA-N
XLogP-0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide with MolForge

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Related Compounds

4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-methylidene-3H-thiophen-3-id-4-yl)cyclopenten-1-yl]-5-methyl-2-methylidene-3H-thiophen-3-ylium
CID 101271306
3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-methylidene-3H-thiophen-4-yl)cyclopenten-1-yl]-2-methyl-5-methylidenethiophen-1-ium
CID 136785321

Frequently Asked Questions

What is the IUPAC name of dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide?
The IUPAC name of dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide (CID 177424625) is dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide.
What is the SMILES notation for dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide?
The canonical SMILES for dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide is Cc1s[c-]cc1C1=C(c2c[c-]sc2C)C(F)(F)C(F)(F)C1(F)F.[Li+].[Li+].
What is the InChIKey of dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide?
The InChIKey is QIRZESUKDPTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6S2.2Li/c1-7-9(3-5-22-7)11-12(10-4-6-23-8(10)2)14(18,19)15(20,21)13(11,16)17;;/h3-4H,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide?
dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide has a molecular weight of 380.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;4-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2H-thiophen-2-id-4-yl)cyclopenten-1-yl]-5-methyl-2H-thiophen-2-ide is sourced from PubChem (CID 177424625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).