ethane;tritetrafluoroborate

C4H12B3F12-3 — CID 175334302

IUPACethane;tritetrafluoroborate
SMILESCC.CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C2H6.3BF4/c2*1-2;3*2-1(3,4)5/h2*1-2H3;;;/q;;3*-1
InChIKeyWBVKMCNUZLJQKI-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.95
Rot. Bonds

About ethane;tritetrafluoroborate

ethane;tritetrafluoroborate (PubChem CID 175334302) has the molecular formula C4H12B3F12-3 and a molecular weight of 320.55 g/mol. Its IUPAC name is ethane;tritetrafluoroborate.

Molecular Properties

Compound Nameethane;tritetrafluoroborate
PubChem CID175334302
Molecular FormulaC4H12B3F12-3
Molecular Weight320.55 g/mol
Exact Mass321.10
IUPAC Nameethane;tritetrafluoroborate
SMILESCC.CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C2H6.3BF4/c2*1-2;3*2-1(3,4)5/h2*1-2H3;;;/q;;3*-1
InChIKeyWBVKMCNUZLJQKI-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;tritetrafluoroborate?
The IUPAC name of ethane;tritetrafluoroborate (CID 175334302) is ethane;tritetrafluoroborate.
What is the SMILES notation for ethane;tritetrafluoroborate?
The canonical SMILES for ethane;tritetrafluoroborate is CC.CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of ethane;tritetrafluoroborate?
The InChIKey is WBVKMCNUZLJQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.3BF4/c2*1-2;3*2-1(3,4)5/h2*1-2H3;;;/q;;3*-1.
What are the key properties of ethane;tritetrafluoroborate?
ethane;tritetrafluoroborate has a molecular weight of 320.55 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tritetrafluoroborate is sourced from PubChem (CID 175334302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).