2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine

C112H134ClF51N4O12 — CID 162081897

About 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine

2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine (PubChem CID 162081897) has the molecular formula C112H134ClF51N4O12 and a molecular weight of 2732.67 g/mol. Its IUPAC name is 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine.

Molecular Properties

• Compound Name: 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine
• PubChem CID: 162081897
• Molecular Formula: C112H134ClF51N4O12
• Molecular Weight: 2732.67 g/mol
• Exact Mass: 2730.89
• IUPAC Name: 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine
• SMILES: CC(C)(C)C(OCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1c(F)cccc1C(=O)O)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1ccnc(Cl)c1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1ccncn1)(C(F)(F)F)C(F)(F)F.CC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1ccccc1.COc1ccc(C)cc1COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F.Cc1noc(C)c1COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H20F6O2.C15H15F7O3.C15H18F6O.C14H14F8O.C14H22F6O.C13H14ClF6NO.C13H17F6NO2.C12H14F6N2O/c1-10-6-7-12(23-5)11(8-10)9-24-14(13(2,3)4,15(17,18)19)16(20,21)22;1-12(2,3)13(14(17,18)19,15(20,21)22)25-7-9-8(11(23)24)5-4-6-10(9)16;1-10(11-8-6-5-7-9-11)22-13(12(2,3)4,14(16,17)18)15(19,20)21;1-11(2,3)12(13(17,18)19,14(20,21)22)23-7-8-9(15)5-4-6-10(8)16;1-11(2,3)12(13(15,16)17,14(18,19)20)21-9-10-7-5-4-6-8-10;1-10(2,3)11(12(15,16)17,13(18,19)20)22-7-8-4-5-21-9(14)6-8;1-7-9(8(2)22-20-7)6-21-11(10(3,4)5,12(14,15)16)13(17,18)19;1-9(2,3)10(11(13,14)15,12(16,17)18)21-6-8-4-5-19-7-20-8/h6-8H,9H2,1-5H3;4-6H,7H2,1-3H3,(H,23,24);5-10H,1-4H3;4-6H,7H2,1-3H3;10H,4-9H2,1-3H3;4-6H,7H2,1-3H3;6H2,1-5H3;4-5,7H,6H2,1-3H3
• InChIKey: ZCLKDLSJEBSWNK-UHFFFAOYSA-N
• XLogP: 40.72
• TPSA: 185.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2732.67
LogP ≤ 5	40.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine?

The IUPAC name of 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine (CID 162081897) is 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine.

What is the SMILES notation for 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine?

The canonical SMILES for 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine is CC(C)(C)C(OCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1c(F)cccc1C(=O)O)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1ccnc(Cl)c1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OCc1ccncn1)(C(F)(F)F)C(F)(F)F.CC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1ccccc1.COc1ccc(C)cc1COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F.Cc1noc(C)c1COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine?

The InChIKey is ZCLKDLSJEBSWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6O2.C15H15F7O3.C15H18F6O.C14H14F8O.C14H22F6O.C13H14ClF6NO.C13H17F6NO2.C12H14F6N2O/c1-10-6-7-12(23-5)11(8-10)9-24-14(13(2,3)4,15(17,18)19)16(20,21)22;1-12(2,3)13(14(17,18)19,15(20,21)22)25-7-9-8(11(23)24)5-4-6-10(9)16;1-10(11-8-6-5-7-9-11)22-13(12(2,3)4,14(16,17)18)15(19,20)21;1-11(2,3)12(13(17,18)19,14(20,21)22)23-7-8-9(15)5-4-6-10(8)16;1-11(2,3)12(13(15,16)17,14(18,19)20)21-9-10-7-5-4-6-8-10;1-10(2,3)11(12(15,16)17,13(18,19)20)22-7-8-4-5-21-9(14)6-8;1-7-9(8(2)22-20-7)6-21-11(10(3,4)5,12(14,15)16)13(17,18)19;1-9(2,3)10(11(13,14)15,12(16,17)18)21-6-8-4-5-19-7-20-8/h6-8H,9H2,1-5H3;4-6H,7H2,1-3H3,(H,23,24);5-10H,1-4H3;4-6H,7H2,1-3H3;10H,4-9H2,1-3H3;4-6H,7H2,1-3H3;6H2,1-5H3;4-5,7H,6H2,1-3H3.

What are the key properties of 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine?

2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine has a molecular weight of 2732.67 g/mol, XLogP of 40.72, 26 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;3,5-dimethyl-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]-1,2-oxazole;3-fluoro-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzoic acid;1-methoxy-4-methyl-2-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]benzene;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine is sourced from PubChem (CID 162081897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).