bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one

C119H128F14N12O15 — CID 158252746

About bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one

bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one (PubChem CID 158252746) has the molecular formula C119H128F14N12O15 and a molecular weight of 2232.37 g/mol. Its IUPAC name is bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one.

Molecular Properties

• Compound Name: bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
• PubChem CID: 158252746
• Molecular Formula: C119H128F14N12O15
• Molecular Weight: 2232.37 g/mol
• Exact Mass: 2230.94
• IUPAC Name: bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
• SMILES: CC(=O)C(F)(F)F.CC(F)(F)C(=O)O.CC(F)(F)C(=O)O.C[C@H](CC(=O)c1cc2ccccc2[nH]1)CN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1.C[C@H](CC(=O)c1cc2ccccc2[nH]1)CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1.O=C(CCCN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1)c1cnc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)c1cnc2ccccc2c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C27H30FN3O2.2C27H28FN3O2.C3H3F3O.2C3H4F2O2.C2HF3O2/c2*1-18(14-25(32)24-15-20-4-2-3-5-23(20)30-24)17-31-12-10-27(11-13-31)22(16-29-26(27)33)19-6-8-21(28)9-7-19;2*28-22-9-7-19(8-10-22)23-18-30-26(33)27(23)11-14-31(15-12-27)13-3-6-25(32)21-16-20-4-1-2-5-24(20)29-17-21;1-2(7)3(4,5)6;2*1-3(4,5)2(6)7;3-2(4,5)1(6)7/h2*2-9,15,18,22,30H,10-14,16-17H2,1H3,(H,29,33);2*1-2,4-5,7-10,16-17,23H,3,6,11-15,18H2,(H,30,33);1H3;2*1H3,(H,6,7);(H,6,7)/t18-,22?;18-,22-;23-;;;;;/m111...../s1
• InChIKey: FURBKNYPBKLOQP-CFUHVGCRSA-N
• XLogP: 20.91
• TPSA: 383.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.37
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?

The IUPAC name of bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one (CID 158252746) is bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one.

What is the SMILES notation for bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?

The canonical SMILES for bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.CC(F)(F)C(=O)O.CC(F)(F)C(=O)O.C[C@H](CC(=O)c1cc2ccccc2[nH]1)CN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1.C[C@H](CC(=O)c1cc2ccccc2[nH]1)CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1.O=C(CCCN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1)c1cnc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)c1cnc2ccccc2c1.O=C(O)C(F)(F)F.

What is the InChIKey of bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?

The InChIKey is FURBKNYPBKLOQP-CFUHVGCRSA-N. The full InChI is InChI=1S/2C27H30FN3O2.2C27H28FN3O2.C3H3F3O.2C3H4F2O2.C2HF3O2/c2*1-18(14-25(32)24-15-20-4-2-3-5-23(20)30-24)17-31-12-10-27(11-13-31)22(16-29-26(27)33)19-6-8-21(28)9-7-19;2*28-22-9-7-19(8-10-22)23-18-30-26(33)27(23)11-14-31(15-12-27)13-3-6-25(32)21-16-20-4-1-2-5-24(20)29-17-21;1-2(7)3(4,5)6;2*1-3(4,5)2(6)7;3-2(4,5)1(6)7/h2*2-9,15,18,22,30H,10-14,16-17H2,1H3,(H,29,33);2*1-2,4-5,7-10,16-17,23H,3,6,11-15,18H2,(H,30,33);1H3;2*1H3,(H,6,7);(H,6,7)/t18-,22?;18-,22-;23-;;;;;/m111...../s1.

What are the key properties of bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?

bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one has a molecular weight of 2232.37 g/mol, XLogP of 20.91, 26 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 158252746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).