1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

C99H127F27N14O13S2 — CID 157341885

About 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 157341885) has the molecular formula C99H127F27N14O13S2 and a molecular weight of 2298.27 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
• PubChem CID: 157341885
• Molecular Formula: C99H127F27N14O13S2
• Molecular Weight: 2298.27 g/mol
• Exact Mass: 2296.87
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3N3CCCCC3)CC2)C1)C(F)(F)F.CC(OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCC3(C2)CN(S(C)(=O)=O)C3)CC1)C(F)(F)F.CC(OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCC3(CC2)CCN(S(C)(=O)=O)C3)CC1)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3N3CC4COCC4C3)CC2)C1
• InChI: InChI=1S/C26H30F9N3O3.C25H34F6N4O4S.C25H33F6N3O2.C23H30F6N4O4S/c27-24(28,29)19-2-1-16(20(9-19)38-11-17-13-40-14-18(17)12-38)10-36-6-3-23(4-7-36)5-8-37(15-23)22(39)41-21(25(30,31)32)26(33,34)35;1-18(24(26,27)28)39-22(36)34-13-11-32(12-14-34)16-19-3-4-20(25(29,30)31)15-21(19)33-8-5-23(6-9-33)7-10-35(17-23)40(2,37)38;1-18(24(26,27)28)36-22(35)34-14-9-23(17-34)7-12-32(13-8-23)16-19-5-6-20(25(29,30)31)15-21(19)33-10-3-2-4-11-33;1-16(22(24,25)26)37-20(34)31-9-7-30(8-10-31)12-17-3-4-18(23(27,28)29)11-19(17)32-6-5-21(13-32)14-33(15-21)38(2,35)36/h1-2,9,17-18,21H,3-8,10-15H2;3-4,15,18H,5-14,16-17H2,1-2H3;5-6,15,18H,2-4,7-14,16-17H2,1H3;3-4,11,16H,5-10,12-15H2,1-2H3
• InChIKey: BGMKTHQCEXVASZ-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 228.07 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.27
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 157341885) is 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is CC(OC(=O)N1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3N3CCCCC3)CC2)C1)C(F)(F)F.CC(OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCC3(C2)CN(S(C)(=O)=O)C3)CC1)C(F)(F)F.CC(OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCC3(CC2)CCN(S(C)(=O)=O)C3)CC1)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3N3CC4COCC4C3)CC2)C1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?

The InChIKey is BGMKTHQCEXVASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F9N3O3.C25H34F6N4O4S.C25H33F6N3O2.C23H30F6N4O4S/c27-24(28,29)19-2-1-16(20(9-19)38-11-17-13-40-14-18(17)12-38)10-36-6-3-23(4-7-36)5-8-37(15-23)22(39)41-21(25(30,31)32)26(33,34)35;1-18(24(26,27)28)39-22(36)34-13-11-32(12-14-34)16-19-3-4-20(25(29,30)31)15-21(19)33-8-5-23(6-9-33)7-10-35(17-23)40(2,37)38;1-18(24(26,27)28)36-22(35)34-14-9-23(17-34)7-12-32(13-8-23)16-19-5-6-20(25(29,30)31)15-21(19)33-10-3-2-4-11-33;1-16(22(24,25)26)37-20(34)31-9-7-30(8-10-31)12-17-3-4-18(23(27,28)29)11-19(17)32-6-5-21(13-32)14-33(15-21)38(2,35)36/h1-2,9,17-18,21H,3-8,10-15H2;3-4,15,18H,5-14,16-17H2,1-2H3;5-6,15,18H,2-4,7-14,16-17H2,1H3;3-4,11,16H,5-10,12-15H2,1-2H3.

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?

1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 2298.27 g/mol, XLogP of 19.32, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 157341885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).