4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine

C218H248F42N50 — CID 161423754

IUPAC4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)(C)c1cc(C#N)nc(C#N)c1.CC(C)(C)c1cc(C#N)ncc1C#N.CC(C)(C)c1cc(C(F)(F)F)nc(C(F)(F)F)c1.CC(C)(C)c1cc(C(F)(F)F)ncc1C(F)(F)F.CC(C)(C)c1cccnc1C#N.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1cncc(C#N)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncnc1C#N.CC(C)(C)c1cncnc1C(F)(F)F.CC(C)(C)c1nc(C#N)nc(C#N)n1.CC(C)(C)c1nc(C(F)(F)F)nc(C(F)(F)F)n1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1nccnc1C#N.CC(C)(C)c1nccnc1C(F)(F)F.CC(C)(C)c1ncnc(C#N)n1.CC(C)(C)c1ncnc(C(F)(F)F)n1.Cc1cc(C)c(C(C)(C)C)c(C(F)(F)F)n1.[C-]#[N+]c1cc(C#N)nc(C#N)c1C(C)(C)C
InChIInChI=1S/C12H16F3N.C12H10N4.2C11H11F6N.2C11H11N3.4C10H12F3N.4C10H12N2.C9H9F6N3.2C9H11F3N2.C9H9N5.2C9H11N3.C8H10F3N3.C8H10N4/c1-7-6-8(2)16-10(12(13,14)15)9(7)11(3,4)5;1-12(2,3)11-9(15-4)5-8(6-13)16-10(11)7-14;1-9(2,3)6-4-8(11(15,16)17)18-5-7(6)10(12,13)14;1-9(2,3)6-4-7(10(12,13)14)18-8(5-6)11(15,16)17;1-11(2,3)10-4-9(6-13)14-7-8(10)5-12;1-11(2,3)8-4-9(6-12)14-10(5-8)7-13;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)9-4-8(5-11)6-12-7-9;1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)8-5-4-6-12-9(8)7-11;1-10(2,3)9-8(7-11)5-4-6-12-9;1-7(2,3)4-16-5(8(10,11)12)18-6(17-4)9(13,14)15;1-8(2,3)6-4-13-5-14-7(6)9(10,11)12;1-8(2,3)6-7(9(10,11)12)14-5-4-13-6;1-9(2,3)8-13-6(4-10)12-7(5-11)14-8;1-9(2,3)7-5-11-6-12-8(7)4-10;1-9(2,3)8-7(6-10)11-4-5-12-8;1-7(2,3)5-12-4-13-6(14-5)8(9,10)11;1-8(2,3)7-11-5-10-6(4-9)12-7/h6H,1-5H3;5H,1-3H3;2*4-5H,1-3H3;4,7H,1-3H3;4-5H,1-3H3;4*4-6H,1-3H3;4,6-7H,1-3H3;3*4-6H,1-3H3;1-3H3;2*4-5H,1-3H3;1-3H3;5-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;5H,1-3H3
InChIKeyVXBUYBHIKYYRCM-UHFFFAOYSA-N
MW4366.65 g/mol
LogP58.59
Rot. Bonds

About 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine

4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine (PubChem CID 161423754) has the molecular formula C218H248F42N50 and a molecular weight of 4366.65 g/mol. Its IUPAC name is 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
PubChem CID161423754
Molecular FormulaC218H248F42N50
Molecular Weight4366.65 g/mol
Exact Mass4364.03
IUPAC Name4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)(C)c1cc(C#N)nc(C#N)c1.CC(C)(C)c1cc(C#N)ncc1C#N.CC(C)(C)c1cc(C(F)(F)F)nc(C(F)(F)F)c1.CC(C)(C)c1cc(C(F)(F)F)ncc1C(F)(F)F.CC(C)(C)c1cccnc1C#N.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1cncc(C#N)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncnc1C#N.CC(C)(C)c1cncnc1C(F)(F)F.CC(C)(C)c1nc(C#N)nc(C#N)n1.CC(C)(C)c1nc(C(F)(F)F)nc(C(F)(F)F)n1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1nccnc1C#N.CC(C)(C)c1nccnc1C(F)(F)F.CC(C)(C)c1ncnc(C#N)n1.CC(C)(C)c1ncnc(C(F)(F)F)n1.Cc1cc(C)c(C(C)(C)C)c(C(F)(F)F)n1.[C-]#[N+]c1cc(C#N)nc(C#N)c1C(C)(C)C
InChIInChI=1S/C12H16F3N.C12H10N4.2C11H11F6N.2C11H11N3.4C10H12F3N.4C10H12N2.C9H9F6N3.2C9H11F3N2.C9H9N5.2C9H11N3.C8H10F3N3.C8H10N4/c1-7-6-8(2)16-10(12(13,14)15)9(7)11(3,4)5;1-12(2,3)11-9(15-4)5-8(6-13)16-10(11)7-14;1-9(2,3)6-4-8(11(15,16)17)18-5-7(6)10(12,13)14;1-9(2,3)6-4-7(10(12,13)14)18-8(5-6)11(15,16)17;1-11(2,3)10-4-9(6-13)14-7-8(10)5-12;1-11(2,3)8-4-9(6-12)14-10(5-8)7-13;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)9-4-8(5-11)6-12-7-9;1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)8-5-4-6-12-9(8)7-11;1-10(2,3)9-8(7-11)5-4-6-12-9;1-7(2,3)4-16-5(8(10,11)12)18-6(17-4)9(13,14)15;1-8(2,3)6-4-13-5-14-7(6)9(10,11)12;1-8(2,3)6-7(9(10,11)12)14-5-4-13-6;1-9(2,3)8-13-6(4-10)12-7(5-11)14-8;1-9(2,3)7-5-11-6-12-8(7)4-10;1-9(2,3)8-7(6-10)11-4-5-12-8;1-7(2,3)5-12-4-13-6(14-5)8(9,10)11;1-8(2,3)7-11-5-10-6(4-9)12-7/h6H,1-5H3;5H,1-3H3;2*4-5H,1-3H3;4,7H,1-3H3;4-5H,1-3H3;4*4-6H,1-3H3;4,6-7H,1-3H3;3*4-6H,1-3H3;1-3H3;2*4-5H,1-3H3;1-3H3;5-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;5H,1-3H3
InChIKeyVXBUYBHIKYYRCM-UHFFFAOYSA-N
XLogP58.59
TPSA799.47 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004366.65
LogP ≤ 558.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine (CID 161423754) is 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine is CC(C)(C)c1cc(C#N)nc(C#N)c1.CC(C)(C)c1cc(C#N)ncc1C#N.CC(C)(C)c1cc(C(F)(F)F)nc(C(F)(F)F)c1.CC(C)(C)c1cc(C(F)(F)F)ncc1C(F)(F)F.CC(C)(C)c1cccnc1C#N.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1cncc(C#N)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncnc1C#N.CC(C)(C)c1cncnc1C(F)(F)F.CC(C)(C)c1nc(C#N)nc(C#N)n1.CC(C)(C)c1nc(C(F)(F)F)nc(C(F)(F)F)n1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1nccnc1C#N.CC(C)(C)c1nccnc1C(F)(F)F.CC(C)(C)c1ncnc(C#N)n1.CC(C)(C)c1ncnc(C(F)(F)F)n1.Cc1cc(C)c(C(C)(C)C)c(C(F)(F)F)n1.[C-]#[N+]c1cc(C#N)nc(C#N)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is VXBUYBHIKYYRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N.C12H10N4.2C11H11F6N.2C11H11N3.4C10H12F3N.4C10H12N2.C9H9F6N3.2C9H11F3N2.C9H9N5.2C9H11N3.C8H10F3N3.C8H10N4/c1-7-6-8(2)16-10(12(13,14)15)9(7)11(3,4)5;1-12(2,3)11-9(15-4)5-8(6-13)16-10(11)7-14;1-9(2,3)6-4-8(11(15,16)17)18-5-7(6)10(12,13)14;1-9(2,3)6-4-7(10(12,13)14)18-8(5-6)11(15,16)17;1-11(2,3)10-4-9(6-13)14-7-8(10)5-12;1-11(2,3)8-4-9(6-12)14-10(5-8)7-13;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)9-4-8(5-11)6-12-7-9;1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)8-5-4-6-12-9(8)7-11;1-10(2,3)9-8(7-11)5-4-6-12-9;1-7(2,3)4-16-5(8(10,11)12)18-6(17-4)9(13,14)15;1-8(2,3)6-4-13-5-14-7(6)9(10,11)12;1-8(2,3)6-7(9(10,11)12)14-5-4-13-6;1-9(2,3)8-13-6(4-10)12-7(5-11)14-8;1-9(2,3)7-5-11-6-12-8(7)4-10;1-9(2,3)8-7(6-10)11-4-5-12-8;1-7(2,3)5-12-4-13-6(14-5)8(9,10)11;1-8(2,3)7-11-5-10-6(4-9)12-7/h6H,1-5H3;5H,1-3H3;2*4-5H,1-3H3;4,7H,1-3H3;4-5H,1-3H3;4*4-6H,1-3H3;4,6-7H,1-3H3;3*4-6H,1-3H3;1-3H3;2*4-5H,1-3H3;1-3H3;5-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;5H,1-3H3.
What are the key properties of 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 4366.65 g/mol, XLogP of 58.59, 0 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5-bis(trifluoromethyl)pyridine;4-tert-butyl-2,6-bis(trifluoromethyl)pyridine;2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine;3-tert-butyl-4,6-dimethyl-2-(trifluoromethyl)pyridine;3-tert-butyl-4-isocyanopyridine-2,6-dicarbonitrile;3-tert-butylpyrazine-2-carbonitrile;2-tert-butylpyridine-3-carbonitrile;3-tert-butylpyridine-2-carbonitrile;4-tert-butylpyridine-2-carbonitrile;5-tert-butylpyridine-3-carbonitrile;4-tert-butylpyridine-2,5-dicarbonitrile;4-tert-butylpyridine-2,6-dicarbonitrile;5-tert-butylpyrimidine-4-carbonitrile;4-tert-butyl-1,3,5-triazine-2-carbonitrile;6-tert-butyl-1,3,5-triazine-2,4-dicarbonitrile;2-tert-butyl-3-(trifluoromethyl)pyrazine;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-4-(trifluoromethyl)pyrimidine;2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 161423754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).