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;tris(2,2,2-trifluoroacetic acid)

C117H123F15N12O16 — CID 158500869

About 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;tris(2,2,2-trifluoroacetic acid)

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;tris(2,2,2-trifluoroacetic acid) (PubChem CID 158500869) has the molecular formula C117H123F15N12O16 and a molecular weight of 2238.31 g/mol. Its IUPAC name is 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;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 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;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 158500869
• Molecular Formula: C117H123F15N12O16
• Molecular Weight: 2238.31 g/mol
• Exact Mass: 2236.89
• IUPAC Name: 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;tris(2,2,2-trifluoroacetic acid)
• SMILES: 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.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C27H30FN3O2.2C27H28FN3O2.C3H4F2O2.3C2HF3O2/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;1-3(4,5)2(6)7;3*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,(H,6,7);3*(H,6,7)/t18-,22?;18-,22-;23-;;;;;/m111...../s1
• InChIKey: FVIIMBGRJAVTGW-CFUHVGCRSA-N
• XLogP: 20.31
• TPSA: 404.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.31
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 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;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 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;tris(2,2,2-trifluoroacetic acid) (CID 158500869) is 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;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 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;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 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;tris(2,2,2-trifluoroacetic acid) is 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.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 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;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is FVIIMBGRJAVTGW-CFUHVGCRSA-N. The full InChI is InChI=1S/2C27H30FN3O2.2C27H28FN3O2.C3H4F2O2.3C2HF3O2/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;1-3(4,5)2(6)7;3*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,(H,6,7);3*(H,6,7)/t18-,22?;18-,22-;23-;;;;;/m111...../s1.

What are the key properties of 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;tris(2,2,2-trifluoroacetic acid)?

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;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 2238.31 g/mol, XLogP of 20.31, 25 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158500869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).