bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate

C30H6BiF27O6 — CID 172690132

IUPACbis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate
SMILESO=C(O[Bi](OC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)OC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/3C10H3F9O2.Bi/c3*11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19;/h3*1-2H,(H,20,21);/q;;;+3/p-3
InChIKeyBOLKHRMZMGTDNX-UHFFFAOYSA-K
MW1184.30 g/mol
LogP12.71
Rot. Bonds6

About bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate

bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate (PubChem CID 172690132) has the molecular formula C30H6BiF27O6 and a molecular weight of 1184.30 g/mol. Its IUPAC name is bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate.

Molecular Properties

Compound Namebis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate
PubChem CID172690132
Molecular FormulaC30H6BiF27O6
Molecular Weight1184.30 g/mol
Exact Mass1183.95
IUPAC Namebis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate
SMILESO=C(O[Bi](OC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)OC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/3C10H3F9O2.Bi/c3*11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19;/h3*1-2H,(H,20,21);/q;;;+3/p-3
InChIKeyBOLKHRMZMGTDNX-UHFFFAOYSA-K
XLogP12.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.30
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[[3,5-bis(trifluoromethyl)benzoyl]oxy]bismuthanyl 3,5-bis(trifluoromethyl)benzoate
CID 148775969
CID 16688583
CID 16688583
2-amino-4,6-bis(trifluoromethyl)benzoate
CID 86336027
methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
CID 134639096
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
methyl 2-bromo-3,5-bis(trifluoromethyl)benzoate
CID 134645650
2-methylsulfanyl-4,6-bis(trifluoromethyl)benzoic acid;2-methylsulfanyl-4,6-bis(trifluoromethyl)benzoyl chloride
CID 160775976
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
bis[2,4,6-tris(trifluoromethyl)phenyl] 2-propylpropanedioate
CID 130220137
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558

Frequently Asked Questions

What is the IUPAC name of bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate?
The IUPAC name of bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate (CID 172690132) is bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate.
What is the SMILES notation for bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate?
The canonical SMILES for bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate is O=C(O[Bi](OC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)OC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate?
The InChIKey is BOLKHRMZMGTDNX-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H3F9O2.Bi/c3*11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19;/h3*1-2H,(H,20,21);/q;;;+3/p-3.
What are the key properties of bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate?
bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate has a molecular weight of 1184.30 g/mol, XLogP of 12.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[2,4,6-tris(trifluoromethyl)benzoyl]oxy]bismuthanyl 2,4,6-tris(trifluoromethyl)benzoate is sourced from PubChem (CID 172690132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).