(4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate

C172H228F16N6O8 — CID 160740945

About (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate

(4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate (PubChem CID 160740945) has the molecular formula C172H228F16N6O8 and a molecular weight of 2811.72 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate
• PubChem CID: 160740945
• Molecular Formula: C172H228F16N6O8
• Molecular Weight: 2811.72 g/mol
• Exact Mass: 2809.74
• IUPAC Name: (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)C1CC(F)(F)C1.CC(C)(C)C(=O)CCC(F)(F)F.CC(C)(C)C(=O)OCC(F)(F)F.CC(C)(C)C1CCN(C(=O)c2ccnc(C(F)(F)F)c2F)CC1.CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CC(C)(C)Cc1ccc(-c2ccccc2)c(C#N)c1.CC(C)(C)Cc1ccc(-c2ccccn2)cc1.CC(C)(C)Cc1cccc(CN)c1.CC(C)(C)Cc1ccccc1F.CC(OC(=O)C(C)(C)C)C1CC1.COc1cc(CC(C)(C)C)ccc1-c1ccccc1.Cc1cc(CC(C)(C)C)ccc1-c1ccccc1
• InChI: InChI=1S/C18H19N.C18H22O.C18H22.C17H18F3N.C16H20F4N2O.C16H19N.C12H19N.C12H18.C11H15F.C10H18O2.C9H14F2O.C8H13F3O.C7H11F3O2/c1-18(2,3)12-14-9-10-17(16(11-14)13-19)15-7-5-4-6-8-15;1-18(2,3)13-14-10-11-16(17(12-14)19-4)15-8-6-5-7-9-15;1-14-12-15(13-18(2,3)4)10-11-17(14)16-8-6-5-7-9-16;1-16(2,3)10-12-4-9-15(21-11-12)13-5-7-14(8-6-13)17(18,19)20;1-15(2,3)10-5-8-22(9-6-10)14(23)11-4-7-21-13(12(11)17)16(18,19)20;1-16(2,3)12-13-7-9-14(10-8-13)15-6-4-5-11-17-15;1-12(2,3)8-10-5-4-6-11(7-10)9-13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-7(8-5-6-8)12-9(11)10(2,3)4;1-8(2,3)7(12)6-4-9(10,11)5-6;1-7(2,3)6(12)4-5-8(9,10)11;1-6(2,3)5(11)12-4-7(8,9)10/h4-11H,12H2,1-3H3;5-12H,13H2,1-4H3;5-12H,13H2,1-4H3;4-9,11H,10H2,1-3H3;4,7,10H,5-6,8-9H2,1-3H3;4-11H,12H2,1-3H3;4-7H,8-9,13H2,1-3H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;4-5H2,1-3H3;4H2,1-3H3
• InChIKey: RVOLTWGHKCLHNO-UHFFFAOYSA-N
• XLogP: 48.76
• TPSA: 204.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2811.72
LogP ≤ 5	48.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate?

The IUPAC name of (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate (CID 160740945) is (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate.

What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate?

The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)C1CC(F)(F)C1.CC(C)(C)C(=O)CCC(F)(F)F.CC(C)(C)C(=O)OCC(F)(F)F.CC(C)(C)C1CCN(C(=O)c2ccnc(C(F)(F)F)c2F)CC1.CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CC(C)(C)Cc1ccc(-c2ccccc2)c(C#N)c1.CC(C)(C)Cc1ccc(-c2ccccn2)cc1.CC(C)(C)Cc1cccc(CN)c1.CC(C)(C)Cc1ccccc1F.CC(OC(=O)C(C)(C)C)C1CC1.COc1cc(CC(C)(C)C)ccc1-c1ccccc1.Cc1cc(CC(C)(C)C)ccc1-c1ccccc1.

What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate?

The InChIKey is RVOLTWGHKCLHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C18H22O.C18H22.C17H18F3N.C16H20F4N2O.C16H19N.C12H19N.C12H18.C11H15F.C10H18O2.C9H14F2O.C8H13F3O.C7H11F3O2/c1-18(2,3)12-14-9-10-17(16(11-14)13-19)15-7-5-4-6-8-15;1-18(2,3)13-14-10-11-16(17(12-14)19-4)15-8-6-5-7-9-15;1-14-12-15(13-18(2,3)4)10-11-17(14)16-8-6-5-7-9-16;1-16(2,3)10-12-4-9-15(21-11-12)13-5-7-14(8-6-13)17(18,19)20;1-15(2,3)10-5-8-22(9-6-10)14(23)11-4-7-21-13(12(11)17)16(18,19)20;1-16(2,3)12-13-7-9-14(10-8-13)15-6-4-5-11-17-15;1-12(2,3)8-10-5-4-6-11(7-10)9-13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-7(8-5-6-8)12-9(11)10(2,3)4;1-8(2,3)7(12)6-4-9(10,11)5-6;1-7(2,3)6(12)4-5-8(9,10)11;1-6(2,3)5(11)12-4-7(8,9)10/h4-11H,12H2,1-3H3;5-12H,13H2,1-4H3;5-12H,13H2,1-4H3;4-9,11H,10H2,1-3H3;4,7,10H,5-6,8-9H2,1-3H3;4-11H,12H2,1-3H3;4-7H,8-9,13H2,1-3H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;4-5H2,1-3H3;4H2,1-3H3.

What are the key properties of (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate?

(4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate has a molecular weight of 2811.72 g/mol, XLogP of 48.76, 23 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylpiperidin-1-yl)-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;1-cyclopropylethyl 2,2-dimethylpropanoate;1-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-one;3,3-dimethylbutylbenzene;1-(2,2-dimethylpropyl)-2-fluorobenzene;4-(2,2-dimethylpropyl)-2-methoxy-1-phenylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;5-(2,2-dimethylpropyl)-2-phenylbenzonitrile;[3-(2,2-dimethylpropyl)phenyl]methanamine;2-[4-(2,2-dimethylpropyl)phenyl]pyridine;5-(2,2-dimethylpropyl)-2-[4-(trifluoromethyl)phenyl]pyridine;6,6,6-trifluoro-2,2-dimethylhexan-3-one;2,2,2-trifluoroethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 160740945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).