dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane

C6HBF8Li2O2 — CID 141240238

IUPACdilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane
SMILES[Li+].[Li+].[O-]B([O-])C1(F)C(F)=C(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HBF8O2.2Li/c8-1-2(9)4(11,7(16)17)6(14,15)5(12,13)3(1)10;;/h3H;;/q-2;2*+1
InChIKeyVPTGAJKYRKLIKP-UHFFFAOYSA-N
MW281.75 g/mol
LogP-5.78
Rot. Bonds1

About dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane

dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane (PubChem CID 141240238) has the molecular formula C6HBF8Li2O2 and a molecular weight of 281.75 g/mol. Its IUPAC name is dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane.

Molecular Properties

Compound Namedilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane
PubChem CID141240238
Molecular FormulaC6HBF8Li2O2
Molecular Weight281.75 g/mol
Exact Mass282.03
IUPAC Namedilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane
SMILES[Li+].[Li+].[O-]B([O-])C1(F)C(F)=C(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HBF8O2.2Li/c8-1-2(9)4(11,7(16)17)6(14,15)5(12,13)3(1)10;;/h3H;;/q-2;2*+1
InChIKeyVPTGAJKYRKLIKP-UHFFFAOYSA-N
XLogP-5.78
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 5-5.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane?
The IUPAC name of dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane (CID 141240238) is dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane.
What is the SMILES notation for dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane?
The canonical SMILES for dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane is [Li+].[Li+].[O-]B([O-])C1(F)C(F)=C(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane?
The InChIKey is VPTGAJKYRKLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBF8O2.2Li/c8-1-2(9)4(11,7(16)17)6(14,15)5(12,13)3(1)10;;/h3H;;/q-2;2*+1.
What are the key properties of dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane?
dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane has a molecular weight of 281.75 g/mol, XLogP of -5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(1,2,3,4,5,5,6,6-octafluorocyclohex-2-en-1-yl)-dioxidoborane is sourced from PubChem (CID 141240238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).