2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol

C187H325F11N6O12S — CID 162251204

IUPAC2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol
SMILESCC(C)(C)OC1CCCC1.CC(C)(C)OCC(F)(F)F.CC(C)(C)OCC1CC1.CC(C)(C)OCc1ccccc1.CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1cc(F)c(F)c(F)c1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)C.CC(C)OC(C)(C)C.CCC(C)OC(C)(C)C.CCC(O)CC.CCCOC(C)(C)C.CCOC(C)(C)C.CCOCCC(C)(C)C.COC(C)(C)C.Cc1cc(F)c(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)cc1.Cn1cc(C(C)(C)C)cn1.Cn1nccc1C(C)(C)C.[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1C
InChIInChI=1S/C11H14F2.C11H15F.C11H16O.2C11H16.C10H11F3.C10H12F2.C9H18O.2C8H14N2.C8H16O.C8H12O.2C8H18O.C8H12S.C7H12N2.2C7H16O.C6H11F3O.C6H14O.2C5H12O.C4H10/c1-7-5-8(12)10(9(13)6-7)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)6-4-7(11)9(13)8(12)5-6;1-10(2,3)9-7(11)5-4-6-8(9)12;1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)9-6-7-4-5-7;1-8(2,3)7-5-4-6-9-7;1-6-7(2)9-8(3,4)5;1-5-9-7-6-8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-6(2)8-7(3,4)5;1-5-6-8-7(2,3)4;1-5(2,3)10-4-6(7,8)9;1-5-7-6(2,3)4;1-5(2,3)6-4;1-3-5(6)4-2;1-4(2)3/h5-6H,1-4H3;5-7H,1-4H3;4-8H,9H2,1-3H3;2*5-8H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;2*5-6H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,6H2,1-5H3;5-7H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6H,1-5H3;5-6H2,1-4H3;4H2,1-3H3;5H2,1-4H3;1-4H3;5-6H,3-4H2,1-2H3;4H,1-3H3/i;;;5D,6D,7D,8D;;;;;;;;;;;;;;;;;;;
InChIKeyZYAAVJGVXFQLRM-NWLSCCHXSA-N
MW3094.76 g/mol
LogP56.90
Rot. Bonds17

About 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol

2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol (PubChem CID 162251204) has the molecular formula C187H325F11N6O12S and a molecular weight of 3094.76 g/mol. Its IUPAC name is 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol.

Molecular Properties

Compound Name2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol
PubChem CID162251204
Molecular FormulaC187H325F11N6O12S
Molecular Weight3094.76 g/mol
Exact Mass3092.48
IUPAC Name2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol
SMILESCC(C)(C)OC1CCCC1.CC(C)(C)OCC(F)(F)F.CC(C)(C)OCC1CC1.CC(C)(C)OCc1ccccc1.CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1cc(F)c(F)c(F)c1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)C.CC(C)OC(C)(C)C.CCC(C)OC(C)(C)C.CCC(O)CC.CCCOC(C)(C)C.CCOC(C)(C)C.CCOCCC(C)(C)C.COC(C)(C)C.Cc1cc(F)c(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)cc1.Cn1cc(C(C)(C)C)cn1.Cn1nccc1C(C)(C)C.[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1C
InChIInChI=1S/C11H14F2.C11H15F.C11H16O.2C11H16.C10H11F3.C10H12F2.C9H18O.2C8H14N2.C8H16O.C8H12O.2C8H18O.C8H12S.C7H12N2.2C7H16O.C6H11F3O.C6H14O.2C5H12O.C4H10/c1-7-5-8(12)10(9(13)6-7)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)6-4-7(11)9(13)8(12)5-6;1-10(2,3)9-7(11)5-4-6-8(9)12;1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)9-6-7-4-5-7;1-8(2,3)7-5-4-6-9-7;1-6-7(2)9-8(3,4)5;1-5-9-7-6-8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-6(2)8-7(3,4)5;1-5-6-8-7(2,3)4;1-5(2,3)10-4-6(7,8)9;1-5-7-6(2,3)4;1-5(2,3)6-4;1-3-5(6)4-2;1-4(2)3/h5-6H,1-4H3;5-7H,1-4H3;4-8H,9H2,1-3H3;2*5-8H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;2*5-6H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,6H2,1-5H3;5-7H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6H,1-5H3;5-6H2,1-4H3;4H2,1-3H3;5H2,1-4H3;1-4H3;5-6H,3-4H2,1-2H3;4H,1-3H3/i;;;5D,6D,7D,8D;;;;;;;;;;;;;;;;;;;
InChIKeyZYAAVJGVXFQLRM-NWLSCCHXSA-N
XLogP56.90
TPSA189.99 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003094.76
LogP ≤ 556.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)propan-2-one;1-propan-2-ylpiperidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene
CID 167563242

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol?
The IUPAC name of 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol (CID 162251204) is 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol.
What is the SMILES notation for 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol?
The canonical SMILES for 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol is CC(C)(C)OC1CCCC1.CC(C)(C)OCC(F)(F)F.CC(C)(C)OCC1CC1.CC(C)(C)OCc1ccccc1.CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1cc(F)c(F)c(F)c1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)C.CC(C)OC(C)(C)C.CCC(C)OC(C)(C)C.CCC(O)CC.CCCOC(C)(C)C.CCOC(C)(C)C.CCOCCC(C)(C)C.COC(C)(C)C.Cc1cc(F)c(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)c(F)c1.Cc1ccc(C(C)(C)C)cc1.Cn1cc(C(C)(C)C)cn1.Cn1nccc1C(C)(C)C.[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1C.
What is the InChIKey of 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol?
The InChIKey is ZYAAVJGVXFQLRM-NWLSCCHXSA-N. The full InChI is InChI=1S/C11H14F2.C11H15F.C11H16O.2C11H16.C10H11F3.C10H12F2.C9H18O.2C8H14N2.C8H16O.C8H12O.2C8H18O.C8H12S.C7H12N2.2C7H16O.C6H11F3O.C6H14O.2C5H12O.C4H10/c1-7-5-8(12)10(9(13)6-7)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;1-11(2,3)12-9-10-7-5-4-6-8-10;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)6-4-7(11)9(13)8(12)5-6;1-10(2,3)9-7(11)5-4-6-8(9)12;1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)9-6-7-4-5-7;1-8(2,3)7-5-4-6-9-7;1-6-7(2)9-8(3,4)5;1-5-9-7-6-8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-6(2)8-7(3,4)5;1-5-6-8-7(2,3)4;1-5(2,3)10-4-6(7,8)9;1-5-7-6(2,3)4;1-5(2,3)6-4;1-3-5(6)4-2;1-4(2)3/h5-6H,1-4H3;5-7H,1-4H3;4-8H,9H2,1-3H3;2*5-8H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;2*5-6H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,6H2,1-5H3;5-7H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6H,1-5H3;5-6H2,1-4H3;4H2,1-3H3;5H2,1-4H3;1-4H3;5-6H,3-4H2,1-2H3;4H,1-3H3/i;;;5D,6D,7D,8D;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol?
2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol has a molecular weight of 3094.76 g/mol, XLogP of 56.90, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,3-difluoro-5-methylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyl-2,3,5,6-tetradeuterio-4-methylbenzene;2-tert-butylthiophene;5-tert-butyl-1,2,3-trifluorobenzene;1-ethoxy-3,3-dimethylbutane;2-ethoxy-2-methylpropane;2-methoxy-2-methylpropane;2-methylpropane;2-[(2-methylpropan-2-yl)oxy]butane;(2-methylpropan-2-yl)oxycyclopentane;(2-methylpropan-2-yl)oxymethylbenzene;(2-methylpropan-2-yl)oxymethylcyclopropane;2-methyl-2-propan-2-yloxypropane;2-methyl-2-propoxypropane;2-methyl-2-(2,2,2-trifluoroethoxy)propane;pentan-3-ol is sourced from PubChem (CID 162251204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).