1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one

C93H87F20N11O5 — CID 158436954

About 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 158436954) has the molecular formula C93H87F20N11O5 and a molecular weight of 1818.75 g/mol. Its IUPAC name is 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
• PubChem CID: 158436954
• Molecular Formula: C93H87F20N11O5
• Molecular Weight: 1818.75 g/mol
• Exact Mass: 1817.66
• IUPAC Name: 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
• SMILES: Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CF.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1CF.O=C1CCCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CF)cc1
• InChI: InChI=1S/C20H20F4N2O.2C19H18F4N2O.C18H16F4N2O.C17H15F4N3O/c1-13-10-17(20(22,23)24)25-19(16(13)11-21)15-7-5-14(6-8-15)12-26-9-3-2-4-18(26)27;1-12-9-16(19(21,22)23)24-18(15(12)10-20)14-6-4-13(5-7-14)11-25-8-2-3-17(25)26;20-11-15-8-9-16(19(21,22)23)24-18(15)14-6-4-13(5-7-14)12-25-10-2-1-3-17(25)26;19-10-14-7-8-15(18(20,21)22)23-17(14)13-5-3-12(4-6-13)11-24-9-1-2-16(24)25;18-8-13-9-22-16(17(19,20)21)23-15(13)12-5-3-11(4-6-12)10-24-7-1-2-14(24)25/h5-8,10H,2-4,9,11-12H2,1H3;4-7,9H,2-3,8,10-11H2,1H3;4-9H,1-3,10-12H2;3-8H,1-2,9-11H2;3-6,9H,1-2,7-8,10H2
• InChIKey: HCIPXDPXMUUNCB-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 178.89 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.75
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?

The IUPAC name of 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one (CID 158436954) is 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?

The canonical SMILES for 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CF.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1CF.O=C1CCCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CF)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ncc2CF)cc1.

What is the InChIKey of 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?

The InChIKey is HCIPXDPXMUUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O.2C19H18F4N2O.C18H16F4N2O.C17H15F4N3O/c1-13-10-17(20(22,23)24)25-19(16(13)11-21)15-7-5-14(6-8-15)12-26-9-3-2-4-18(26)27;1-12-9-16(19(21,22)23)24-18(15(12)10-20)14-6-4-13(5-7-14)11-25-8-2-3-17(25)26;20-11-15-8-9-16(19(21,22)23)24-18(15)14-6-4-13(5-7-14)12-25-10-2-1-3-17(25)26;19-10-14-7-8-15(18(20,21)22)23-17(14)13-5-3-12(4-6-13)11-24-9-1-2-16(24)25;18-8-13-9-22-16(17(19,20)21)23-15(13)12-5-3-11(4-6-12)10-24-7-1-2-14(24)25/h5-8,10H,2-4,9,11-12H2,1H3;4-7,9H,2-3,8,10-11H2,1H3;4-9H,1-3,10-12H2;3-8H,1-2,9-11H2;3-6,9H,1-2,7-8,10H2.

What are the key properties of 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one?

1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 1818.75 g/mol, XLogP of 22.59, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 158436954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).