4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine

C96H170F2N12O5S — CID 160506713

IUPAC4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine
SMILESCC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)Cc1ccncn1.CCS(=O)(=O)c1cccc(CC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)cn1.Cn1ccnc1CC(C)(C)C.Cn1cncc1CC(C)(C)C
InChIInChI=1S/C16H31NO2.C12H19NO2S.C11H17NO.C11H23N.C10H18F2.3C9H16N2.C9H14N2/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-5-16(14,15)11-8-6-7-10(13-11)9-12(2,3)4;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)7-4-10-5-8-12-9-6-10;1-9(2,3)8-4-6-10(11,12)7-5-8;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)6-8-4-5-10-7-11-8/h13H,7-12H2,1-6H3;6-8H,5,9H2,1-4H3;5-6,8H,7H2,1-4H3;10,12H,4-9H2,1-3H3;8H,4-7H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3
InChIKeyQSMUNZLHYYGKIB-UHFFFAOYSA-N
MW1642.56 g/mol
LogP24.36
Rot. Bonds13

About 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine

4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine (PubChem CID 160506713) has the molecular formula C96H170F2N12O5S and a molecular weight of 1642.56 g/mol. Its IUPAC name is 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine
PubChem CID160506713
Molecular FormulaC96H170F2N12O5S
Molecular Weight1642.56 g/mol
Exact Mass1641.31
IUPAC Name4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine
SMILESCC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)Cc1ccncn1.CCS(=O)(=O)c1cccc(CC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)cn1.Cn1ccnc1CC(C)(C)C.Cn1cncc1CC(C)(C)C
InChIInChI=1S/C16H31NO2.C12H19NO2S.C11H17NO.C11H23N.C10H18F2.3C9H16N2.C9H14N2/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-5-16(14,15)11-8-6-7-10(13-11)9-12(2,3)4;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)7-4-10-5-8-12-9-6-10;1-9(2,3)8-4-6-10(11,12)7-5-8;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)6-8-4-5-10-7-11-8/h13H,7-12H2,1-6H3;6-8H,5,9H2,1-4H3;5-6,8H,7H2,1-4H3;10,12H,4-9H2,1-3H3;8H,4-7H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3
InChIKeyQSMUNZLHYYGKIB-UHFFFAOYSA-N
XLogP24.36
TPSA189.96 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.56
LogP ≤ 524.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine with MolForge

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Related Compounds

4-Tert-butyl-1,1-difluorocyclohexane;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;4-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 159197491
Tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 161370062
4-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutyl]-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-N-methylaniline;ethane;4-[2-methyl-4-[1-(1-methylpyrazol-4-yl)-6-[6-(trifluoromethoxy)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]butan-2-yl]-1,4-thiazinane 1,1-dioxide;molecular hydrogen
CID 178169384

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine?
The IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine (CID 160506713) is 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine is CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)Cc1ccncn1.CCS(=O)(=O)c1cccc(CC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)cn1.Cn1ccnc1CC(C)(C)C.Cn1cncc1CC(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine?
The InChIKey is QSMUNZLHYYGKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2.C12H19NO2S.C11H17NO.C11H23N.C10H18F2.3C9H16N2.C9H14N2/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-5-16(14,15)11-8-6-7-10(13-11)9-12(2,3)4;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)7-4-10-5-8-12-9-6-10;1-9(2,3)8-4-6-10(11,12)7-5-8;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)6-8-4-5-10-7-11-8/h13H,7-12H2,1-6H3;6-8H,5,9H2,1-4H3;5-6,8H,7H2,1-4H3;10,12H,4-9H2,1-3H3;8H,4-7H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3.
What are the key properties of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine?
4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine has a molecular weight of 1642.56 g/mol, XLogP of 24.36, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 160506713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).