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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane

C119H145ClF54N4O13 — CID 159008868

IUPAC2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[(1,1,1-trifluoro-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
SMILESCC(C)(C)C(C)(OCc1c(F)cccc1F)C(F)(F)F.CC(C)(C)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OC1CCOCC1)(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(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(C)(C)C(Oc1ccccc1)(C(F)(F)F)C(F)(F)F.CC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1ccccc1.Cc1noc(C)c1COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H15F7O3.C15H18F6O.C14H17F5O.C13H14ClF6NO.C13H17F6NO2.C13H14F6O.C12H14F6N2O.C12H18F6O2.C12H18F6O/c1-12(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;1-12(2,3)13(4,14(17,18)19)20-8-9-10(15)6-5-7-11(9)16;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;1-10(2,3)11(12(14,15)16,13(17,18)19)20-9-7-5-4-6-8-9;1-9(2,3)10(11(13,14)15,12(16,17)18)21-6-8-4-5-19-7-20-8;1-9(2,3)10(11(13,14)15,12(16,17)18)20-8-4-6-19-7-5-8;1-9(2,3)10(11(13,14)15,12(16,17)18)19-8-6-4-5-7-8/h4-6H,7H2,1-3H3,(H,23,24);5-10H,1-4H3;5-7H,8H2,1-4H3;4-6H,7H2,1-3H3;6H2,1-5H3;4-8H,1-3H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyJSGKDMCEABABMG-UHFFFAOYSA-N
MW2900.83 g/mol
LogP43.18
Rot. Bonds25

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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane

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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane (PubChem CID 159008868) has the molecular formula C119H145ClF54N4O13 and a molecular weight of 2900.83 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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[(1,1,1-trifluoro-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
PubChem CID159008868
Molecular FormulaC119H145ClF54N4O13
Molecular Weight2900.83 g/mol
Exact Mass2898.96
IUPAC Name2-chloro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyridine;1,3-difluoro-2-[(1,1,1-trifluoro-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
SMILESCC(C)(C)C(C)(OCc1c(F)cccc1F)C(F)(F)F.CC(C)(C)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OC1CCOCC1)(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(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(C)(C)C(Oc1ccccc1)(C(F)(F)F)C(F)(F)F.CC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1ccccc1.Cc1noc(C)c1COC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H15F7O3.C15H18F6O.C14H17F5O.C13H14ClF6NO.C13H17F6NO2.C13H14F6O.C12H14F6N2O.C12H18F6O2.C12H18F6O/c1-12(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;1-12(2,3)13(4,14(17,18)19)20-8-9-10(15)6-5-7-11(9)16;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;1-10(2,3)11(12(14,15)16,13(17,18)19)20-9-7-5-4-6-8-9;1-9(2,3)10(11(13,14)15,12(16,17)18)21-6-8-4-5-19-7-20-8;1-9(2,3)10(11(13,14)15,12(16,17)18)20-8-4-6-19-7-5-8;1-9(2,3)10(11(13,14)15,12(16,17)18)19-8-6-4-5-7-8/h4-6H,7H2,1-3H3,(H,23,24);5-10H,1-4H3;5-7H,8H2,1-4H3;4-6H,7H2,1-3H3;6H2,1-5H3;4-8H,1-3H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyJSGKDMCEABABMG-UHFFFAOYSA-N
XLogP43.18
TPSA194.30 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002900.83
LogP ≤ 543.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane with MolForge

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Related Compounds

1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3,5-dichlorobenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-3-methoxybenzene;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;1-tert-butyl-3-methylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 159809748
1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3,5-dichlorobenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;4-tert-butyl-3-fluoro-N,N-dimethylaniline;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 161108260
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

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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane (CID 159008868) 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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane.
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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane is CC(C)(C)C(C)(OCc1c(F)cccc1F)C(F)(F)F.CC(C)(C)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(OC1CCOCC1)(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(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(C)(C)C(Oc1ccccc1)(C(F)(F)F)C(F)(F)F.CC(OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1ccccc1.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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
The InChIKey is JSGKDMCEABABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F7O3.C15H18F6O.C14H17F5O.C13H14ClF6NO.C13H17F6NO2.C13H14F6O.C12H14F6N2O.C12H18F6O2.C12H18F6O/c1-12(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;1-12(2,3)13(4,14(17,18)19)20-8-9-10(15)6-5-7-11(9)16;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;1-10(2,3)11(12(14,15)16,13(17,18)19)20-9-7-5-4-6-8-9;1-9(2,3)10(11(13,14)15,12(16,17)18)21-6-8-4-5-19-7-20-8;1-9(2,3)10(11(13,14)15,12(16,17)18)20-8-4-6-19-7-5-8;1-9(2,3)10(11(13,14)15,12(16,17)18)19-8-6-4-5-7-8/h4-6H,7H2,1-3H3,(H,23,24);5-10H,1-4H3;5-7H,8H2,1-4H3;4-6H,7H2,1-3H3;6H2,1-5H3;4-8H,1-3H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3.
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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane?
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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane has a molecular weight of 2900.83 g/mol, XLogP of 43.18, 25 rotatable bonds, 1 hydrogen bond donors, and 16 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-2,3,3-trimethylbutan-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;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxybenzene;[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane;1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylbenzene;4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]pyrimidine;4-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane is sourced from PubChem (CID 159008868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).