ethane;tritetrafluoroborate;hydrate

C4H14B3F12O-3 — CID 175351603

IUPACethane;tritetrafluoroborate;hydrate
SMILESCC.CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O
InChIInChI=1S/2C2H6.3BF4.H2O/c2*1-2;3*2-1(3,4)5;/h2*1-2H3;;;;1H2/q;;3*-1;
InChIKeySRJPMJLWQVTFAJ-UHFFFAOYSA-N
MW338.57 g/mol
LogP5.13
Rot. Bonds

About ethane;tritetrafluoroborate;hydrate

ethane;tritetrafluoroborate;hydrate (PubChem CID 175351603) has the molecular formula C4H14B3F12O-3 and a molecular weight of 338.57 g/mol. Its IUPAC name is ethane;tritetrafluoroborate;hydrate.

Molecular Properties

Compound Nameethane;tritetrafluoroborate;hydrate
PubChem CID175351603
Molecular FormulaC4H14B3F12O-3
Molecular Weight338.57 g/mol
Exact Mass339.11
IUPAC Nameethane;tritetrafluoroborate;hydrate
SMILESCC.CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O
InChIInChI=1S/2C2H6.3BF4.H2O/c2*1-2;3*2-1(3,4)5;/h2*1-2H3;;;;1H2/q;;3*-1;
InChIKeySRJPMJLWQVTFAJ-UHFFFAOYSA-N
XLogP5.13
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.57
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;tritetrafluoroborate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;tritetrafluoroborate;hydrate?
The IUPAC name of ethane;tritetrafluoroborate;hydrate (CID 175351603) is ethane;tritetrafluoroborate;hydrate.
What is the SMILES notation for ethane;tritetrafluoroborate;hydrate?
The canonical SMILES for ethane;tritetrafluoroborate;hydrate is CC.CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O.
What is the InChIKey of ethane;tritetrafluoroborate;hydrate?
The InChIKey is SRJPMJLWQVTFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.3BF4.H2O/c2*1-2;3*2-1(3,4)5;/h2*1-2H3;;;;1H2/q;;3*-1;.
What are the key properties of ethane;tritetrafluoroborate;hydrate?
ethane;tritetrafluoroborate;hydrate has a molecular weight of 338.57 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tritetrafluoroborate;hydrate is sourced from PubChem (CID 175351603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).