2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)

C122H125F18N11O18 — CID 157306452

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

2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 157306452) has the molecular formula C122H125F18N11O18 and a molecular weight of 2375.36 g/mol. Its IUPAC name is 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 157306452
• Molecular Formula: C122H125F18N11O18
• Molecular Weight: 2375.36 g/mol
• Exact Mass: 2373.89
• IUPAC Name: 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
• SMILES: CC(F)(F)C(=O)O.C[C@H](CC(=O)c1cnc2ccccc2c1)CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1.C[C@H](CC(=O)c1cnc2ccccc2c1)CN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1.O=C(CCCN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1)c1ccc2ccccc2c1.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.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C28H30FN3O2.C28H29FN2O2.C27H28FN3O2.C3H4F2O2.4C2HF3O2/c2*1-19(14-26(33)22-15-21-4-2-3-5-25(21)30-16-22)18-32-12-10-28(11-13-32)24(17-31-27(28)34)20-6-8-23(29)9-7-20;29-24-11-9-21(10-12-24)25-19-30-27(33)28(25)13-16-31(17-14-28)15-3-6-26(32)23-8-7-20-4-1-2-5-22(20)18-23;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;4*3-2(4,5)1(6)7/h2*2-9,15-16,19,24H,10-14,17-18H2,1H3,(H,31,34);1-2,4-5,7-12,18,25H,3,6,13-17,19H2,(H,30,33);1-2,4-5,7-10,16-17,23H,3,6,11-15,18H2,(H,30,33);1H3,(H,6,7);4*(H,6,7)/t19-,24+;19-,24-;;23-;;;;;/m11.0...../s1
• InChIKey: QMQLQYZKBIOLED-SIIWVXOGSA-N
• XLogP: 21.69
• TPSA: 422.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2375.36
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid) (CID 157306452) is 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid) is CC(F)(F)C(=O)O.C[C@H](CC(=O)c1cnc2ccccc2c1)CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1.C[C@H](CC(=O)c1cnc2ccccc2c1)CN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1.O=C(CCCN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1)c1ccc2ccccc2c1.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.O=C(O)C(F)(F)F.

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

The InChIKey is QMQLQYZKBIOLED-SIIWVXOGSA-N. The full InChI is InChI=1S/2C28H30FN3O2.C28H29FN2O2.C27H28FN3O2.C3H4F2O2.4C2HF3O2/c2*1-19(14-26(33)22-15-21-4-2-3-5-25(21)30-16-22)18-32-12-10-28(11-13-32)24(17-31-27(28)34)20-6-8-23(29)9-7-20;29-24-11-9-21(10-12-24)25-19-30-27(33)28(25)13-16-31(17-14-28)15-3-6-26(32)23-8-7-20-4-1-2-5-22(20)18-23;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;4*3-2(4,5)1(6)7/h2*2-9,15-16,19,24H,10-14,17-18H2,1H3,(H,31,34);1-2,4-5,7-12,18,25H,3,6,13-17,19H2,(H,30,33);1-2,4-5,7-10,16-17,23H,3,6,11-15,18H2,(H,30,33);1H3,(H,6,7);4*(H,6,7)/t19-,24+;19-,24-;;23-;;;;;/m11.0...../s1.

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

2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2375.36 g/mol, XLogP of 21.69, 25 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157306452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).