ethane;tritetrafluoroborate

C6H15B3F12 — CID 140982161

IUPACethane;tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[CH2+]C.[CH2+]C.[CH2+]C
InChIInChI=1S/3C2H5.3BF4/c3*1-2;3*2-1(3,4)5/h3*1H2,2H3;;;/q3*+1;3*-1
InChIKeyCUSHDPCTVFNTQF-UHFFFAOYSA-N
MW347.60 g/mol
LogP6.42
Rot. Bonds

About ethane;tritetrafluoroborate

ethane;tritetrafluoroborate (PubChem CID 140982161) has the molecular formula C6H15B3F12 and a molecular weight of 347.60 g/mol. Its IUPAC name is ethane;tritetrafluoroborate.

Molecular Properties

Compound Nameethane;tritetrafluoroborate
PubChem CID140982161
Molecular FormulaC6H15B3F12
Molecular Weight347.60 g/mol
Exact Mass348.13
IUPAC Nameethane;tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[CH2+]C.[CH2+]C.[CH2+]C
InChIInChI=1S/3C2H5.3BF4/c3*1-2;3*2-1(3,4)5/h3*1H2,2H3;;;/q3*+1;3*-1
InChIKeyCUSHDPCTVFNTQF-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.60
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 140982161) is ethane;tritetrafluoroborate.
What is the SMILES notation for ethane;tritetrafluoroborate?
The canonical SMILES for ethane;tritetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[CH2+]C.[CH2+]C.[CH2+]C.
What is the InChIKey of ethane;tritetrafluoroborate?
The InChIKey is CUSHDPCTVFNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5.3BF4/c3*1-2;3*2-1(3,4)5/h3*1H2,2H3;;;/q3*+1;3*-1.
What are the key properties of ethane;tritetrafluoroborate?
ethane;tritetrafluoroborate has a molecular weight of 347.60 g/mol, XLogP of 6.42, 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 140982161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).