1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane

C66H86F12N6O15 — CID 165042789

About 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane

1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane (PubChem CID 165042789) has the molecular formula C66H86F12N6O15 and a molecular weight of 1431.42 g/mol. Its IUPAC name is 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane.

Molecular Properties

• Compound Name: 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane
• PubChem CID: 165042789
• Molecular Formula: C66H86F12N6O15
• Molecular Weight: 1431.42 g/mol
• Exact Mass: 1430.60
• IUPAC Name: 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane
• SMILES: C.Cc1c(F)ccc(CN2CCN(C(=O)OC(C)C(F)(F)F)CC2)c1OCC1(C(=O)O)CC1.Cc1cc(F)cc(CN2CCN(C(=O)OC(C)C(F)(F)F)CC2)c1OCC1(C(=O)O)CC1.Cc1cc(F)cc(CN2CCN(C(=O)OC(C)C(F)(F)F)CC2)c1OCC1(C(=O)O)CCCC1
• InChI: InChI=1S/C23H30F4N2O5.2C21H26F4N2O5.CH4/c1-15-11-18(24)12-17(19(15)33-14-22(20(30)31)5-3-4-6-22)13-28-7-9-29(10-8-28)21(32)34-16(2)23(25,26)27;1-13-9-16(22)10-15(17(13)31-12-20(3-4-20)18(28)29)11-26-5-7-27(8-6-26)19(30)32-14(2)21(23,24)25;1-13-16(22)4-3-15(17(13)31-12-20(5-6-20)18(28)29)11-26-7-9-27(10-8-26)19(30)32-14(2)21(23,24)25;/h11-12,16H,3-10,13-14H2,1-2H3,(H,30,31);9-10,14H,3-8,11-12H2,1-2H3,(H,28,29);3-4,14H,5-12H2,1-2H3,(H,28,29);1H4
• InChIKey: OKBJFOOOCYUWEH-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 237.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1431.42
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane?

The IUPAC name of 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane (CID 165042789) is 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane.

What is the SMILES notation for 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane?

The canonical SMILES for 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane is C.Cc1c(F)ccc(CN2CCN(C(=O)OC(C)C(F)(F)F)CC2)c1OCC1(C(=O)O)CC1.Cc1cc(F)cc(CN2CCN(C(=O)OC(C)C(F)(F)F)CC2)c1OCC1(C(=O)O)CC1.Cc1cc(F)cc(CN2CCN(C(=O)OC(C)C(F)(F)F)CC2)c1OCC1(C(=O)O)CCCC1.

What is the InChIKey of 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane?

The InChIKey is OKBJFOOOCYUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4N2O5.2C21H26F4N2O5.CH4/c1-15-11-18(24)12-17(19(15)33-14-22(20(30)31)5-3-4-6-22)13-28-7-9-29(10-8-28)21(32)34-16(2)23(25,26)27;1-13-9-16(22)10-15(17(13)31-12-20(3-4-20)18(28)29)11-26-5-7-27(8-6-26)19(30)32-14(2)21(23,24)25;1-13-16(22)4-3-15(17(13)31-12-20(5-6-20)18(28)29)11-26-7-9-27(10-8-26)19(30)32-14(2)21(23,24)25;/h11-12,16H,3-10,13-14H2,1-2H3,(H,30,31);9-10,14H,3-8,11-12H2,1-2H3,(H,28,29);3-4,14H,5-12H2,1-2H3,(H,28,29);1H4.

What are the key properties of 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane?

1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane has a molecular weight of 1431.42 g/mol, XLogP of 12.16, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopentane-1-carboxylic acid;1-[[3-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[[4-fluoro-2-methyl-6-[[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;methane is sourced from PubChem (CID 165042789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).