bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum

C100H115F45N10Ta10-10 — CID 167634468

IUPACbis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum
SMILESCc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)ccn1.Cc1cc(CC(F)(F)F)ccn1.Cc1ccc(CC(F)(F)F)cn1.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta]
InChIInChI=1S/C13H12F9N.C10H9F6N.2C9H7F6N.C9H10F3N.5C8H8F3N.10CH3.10Ta/c1-6-8(3-11(14,15)16)10(5-13(20,21)22)9(7(2)23-6)4-12(17,18)19;1-6-8(4-10(14,15)16)2-7(5-17-6)3-9(11,12)13;2*10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;1-6-3-8(4-7(2)13-6)5-9(10,11)12;2*1-6-4-7(2-3-12-6)5-8(9,10)11;1-6-2-3-7(5-12-6)4-8(9,10)11;2*1-6-7(3-2-4-12-6)5-8(9,10)11;;;;;;;;;;;;;;;;;;;;/h3-5H2,1-2H3;2,5H,3-4H2,1H3;2*1-2,5H,3-4H2;3-4H,5H2,1-2H3;2*2-4H,5H2,1H3;2-3,5H,4H2,1H3;2*2-4H,5H2,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyNEUMGEALGLFRTO-UHFFFAOYSA-N
MW4121.48 g/mol
LogP34.95
Rot. Bonds15

About bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum

bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum (PubChem CID 167634468) has the molecular formula C100H115F45N10Ta10-10 and a molecular weight of 4121.48 g/mol. Its IUPAC name is bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum.

Molecular Properties

Compound Namebis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum
PubChem CID167634468
Molecular FormulaC100H115F45N10Ta10-10
Molecular Weight4121.48 g/mol
Exact Mass4120.34
IUPAC Namebis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum
SMILESCc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)ccn1.Cc1cc(CC(F)(F)F)ccn1.Cc1ccc(CC(F)(F)F)cn1.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta]
InChIInChI=1S/C13H12F9N.C10H9F6N.2C9H7F6N.C9H10F3N.5C8H8F3N.10CH3.10Ta/c1-6-8(3-11(14,15)16)10(5-13(20,21)22)9(7(2)23-6)4-12(17,18)19;1-6-8(4-10(14,15)16)2-7(5-17-6)3-9(11,12)13;2*10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;1-6-3-8(4-7(2)13-6)5-9(10,11)12;2*1-6-4-7(2-3-12-6)5-8(9,10)11;1-6-2-3-7(5-12-6)4-8(9,10)11;2*1-6-7(3-2-4-12-6)5-8(9,10)11;;;;;;;;;;;;;;;;;;;;/h3-5H2,1-2H3;2,5H,3-4H2,1H3;2*1-2,5H,3-4H2;3-4H,5H2,1-2H3;2*2-4H,5H2,1H3;2-3,5H,4H2,1H3;2*2-4H,5H2,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyNEUMGEALGLFRTO-UHFFFAOYSA-N
XLogP34.95
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004121.48
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum with MolForge

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Pyridoclax
CID 92042827
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Frequently Asked Questions

What is the IUPAC name of bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum?
The IUPAC name of bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum (CID 167634468) is bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum.
What is the SMILES notation for bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum?
The canonical SMILES for bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum is Cc1cc(CC(F)(F)F)cc(C)n1.Cc1cc(CC(F)(F)F)ccn1.Cc1cc(CC(F)(F)F)ccn1.Cc1ccc(CC(F)(F)F)cn1.Cc1nc(C)c(CC(F)(F)F)c(CC(F)(F)F)c1CC(F)(F)F.Cc1ncc(CC(F)(F)F)cc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.Cc1ncccc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.FC(F)(F)Cc1ccncc1CC(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].
What is the InChIKey of bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum?
The InChIKey is NEUMGEALGLFRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F9N.C10H9F6N.2C9H7F6N.C9H10F3N.5C8H8F3N.10CH3.10Ta/c1-6-8(3-11(14,15)16)10(5-13(20,21)22)9(7(2)23-6)4-12(17,18)19;1-6-8(4-10(14,15)16)2-7(5-17-6)3-9(11,12)13;2*10-8(11,12)3-6-1-2-16-5-7(6)4-9(13,14)15;1-6-3-8(4-7(2)13-6)5-9(10,11)12;2*1-6-4-7(2-3-12-6)5-8(9,10)11;1-6-2-3-7(5-12-6)4-8(9,10)11;2*1-6-7(3-2-4-12-6)5-8(9,10)11;;;;;;;;;;;;;;;;;;;;/h3-5H2,1-2H3;2,5H,3-4H2,1H3;2*1-2,5H,3-4H2;3-4H,5H2,1-2H3;2*2-4H,5H2,1H3;2-3,5H,4H2,1H3;2*2-4H,5H2,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;.
What are the key properties of bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum?
bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum has a molecular weight of 4121.48 g/mol, XLogP of 34.95, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-bis(2,2,2-trifluoroethyl)pyridine);carbanide;2,6-dimethyl-4-(2,2,2-trifluoroethyl)pyridine;2,6-dimethyl-3,4,5-tris(2,2,2-trifluoroethyl)pyridine;2-methyl-3,5-bis(2,2,2-trifluoroethyl)pyridine;bis(2-methyl-3-(2,2,2-trifluoroethyl)pyridine);bis(2-methyl-4-(2,2,2-trifluoroethyl)pyridine);2-methyl-5-(2,2,2-trifluoroethyl)pyridine;tantalum is sourced from PubChem (CID 167634468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).