barium(2+);ethane;1-methylimidazole;difluoride

C6H12BaF2N2 — CID 144994303

IUPACbarium(2+);ethane;1-methylimidazole;difluoride
SMILESCC.Cn1ccnc1.[Ba+2].[F-].[F-]
InChIInChI=1S/C4H6N2.C2H6.Ba.2FH/c1-6-3-2-5-4-6;1-2;;;/h2-4H,1H3;1-2H3;;2*1H/q;;+2;;/p-2
InChIKeyANQPHYNAXLZXMN-UHFFFAOYSA-L
MW287.50 g/mol
LogP-4.93
Rot. Bonds

About barium(2+);ethane;1-methylimidazole;difluoride

barium(2+);ethane;1-methylimidazole;difluoride (PubChem CID 144994303) has the molecular formula C6H12BaF2N2 and a molecular weight of 287.50 g/mol. Its IUPAC name is barium(2+);ethane;1-methylimidazole;difluoride.

Molecular Properties

Compound Namebarium(2+);ethane;1-methylimidazole;difluoride
PubChem CID144994303
Molecular FormulaC6H12BaF2N2
Molecular Weight287.50 g/mol
Exact Mass288.00
IUPAC Namebarium(2+);ethane;1-methylimidazole;difluoride
SMILESCC.Cn1ccnc1.[Ba+2].[F-].[F-]
InChIInChI=1S/C4H6N2.C2H6.Ba.2FH/c1-6-3-2-5-4-6;1-2;;;/h2-4H,1H3;1-2H3;;2*1H/q;;+2;;/p-2
InChIKeyANQPHYNAXLZXMN-UHFFFAOYSA-L
XLogP-4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 5-4.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of barium(2+);ethane;1-methylimidazole;difluoride?
The IUPAC name of barium(2+);ethane;1-methylimidazole;difluoride (CID 144994303) is barium(2+);ethane;1-methylimidazole;difluoride.
What is the SMILES notation for barium(2+);ethane;1-methylimidazole;difluoride?
The canonical SMILES for barium(2+);ethane;1-methylimidazole;difluoride is CC.Cn1ccnc1.[Ba+2].[F-].[F-].
What is the InChIKey of barium(2+);ethane;1-methylimidazole;difluoride?
The InChIKey is ANQPHYNAXLZXMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6N2.C2H6.Ba.2FH/c1-6-3-2-5-4-6;1-2;;;/h2-4H,1H3;1-2H3;;2*1H/q;;+2;;/p-2.
What are the key properties of barium(2+);ethane;1-methylimidazole;difluoride?
barium(2+);ethane;1-methylimidazole;difluoride has a molecular weight of 287.50 g/mol, XLogP of -4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);ethane;1-methylimidazole;difluoride is sourced from PubChem (CID 144994303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).