[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate

C64H94F18O16 — CID 157314608

About [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate

[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate (PubChem CID 157314608) has the molecular formula C64H94F18O16 and a molecular weight of 1461.40 g/mol. Its IUPAC name is [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate.

Molecular Properties

• Compound Name: [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate
• PubChem CID: 157314608
• Molecular Formula: C64H94F18O16
• Molecular Weight: 1461.40 g/mol
• Exact Mass: 1460.63
• IUPAC Name: [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(CC(=O)OC(C(F)(F)F)C(F)(F)F)CCCC1.CCC(C)(C)C(=O)OC1(CCCC(=O)OCC(F)(F)F)CCCC1.CCC(C)C(=O)OC1(CC(=O)OC(C(F)(F)F)C(F)(F)F)CCCC1.CCC(C)C(=O)OC1(CCCC(=O)OCC(F)(F)F)CCCC1
• InChI: InChI=1S/C17H27F3O4.C16H22F6O4.C16H25F3O4.C15H20F6O4/c1-4-15(2,3)14(22)24-16(9-5-6-10-16)11-7-8-13(21)23-12-17(18,19)20;1-4-13(2,3)12(24)26-14(7-5-6-8-14)9-10(23)25-11(15(17,18)19)16(20,21)22;1-3-12(2)14(21)23-15(8-4-5-9-15)10-6-7-13(20)22-11-16(17,18)19;1-3-9(2)11(23)25-13(6-4-5-7-13)8-10(22)24-12(14(16,17)18)15(19,20)21/h4-12H2,1-3H3;11H,4-9H2,1-3H3;12H,3-11H2,1-2H3;9,12H,3-8H2,1-2H3
• InChIKey: BDLDYMJENBTEFA-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.40
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate?

The IUPAC name of [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate (CID 157314608) is [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate.

What is the SMILES notation for [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate?

The canonical SMILES for [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate is CCC(C)(C)C(=O)OC1(CC(=O)OC(C(F)(F)F)C(F)(F)F)CCCC1.CCC(C)(C)C(=O)OC1(CCCC(=O)OCC(F)(F)F)CCCC1.CCC(C)C(=O)OC1(CC(=O)OC(C(F)(F)F)C(F)(F)F)CCCC1.CCC(C)C(=O)OC1(CCCC(=O)OCC(F)(F)F)CCCC1.

What is the InChIKey of [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate?

The InChIKey is BDLDYMJENBTEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3O4.C16H22F6O4.C16H25F3O4.C15H20F6O4/c1-4-15(2,3)14(22)24-16(9-5-6-10-16)11-7-8-13(21)23-12-17(18,19)20;1-4-13(2,3)12(24)26-14(7-5-6-8-14)9-10(23)25-11(15(17,18)19)16(20,21)22;1-3-12(2)14(21)23-15(8-4-5-9-15)10-6-7-13(20)22-11-16(17,18)19;1-3-9(2)11(23)25-13(6-4-5-7-13)8-10(22)24-12(14(16,17)18)15(19,20)21/h4-12H2,1-3H3;11H,4-9H2,1-3H3;12H,3-11H2,1-2H3;9,12H,3-8H2,1-2H3.

What are the key properties of [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate?

[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate has a molecular weight of 1461.40 g/mol, XLogP of 17.74, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl]cyclopentyl] 2-methylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2,2-dimethylbutanoate;[1-[4-oxo-4-(2,2,2-trifluoroethoxy)butyl]cyclopentyl] 2-methylbutanoate is sourced from PubChem (CID 157314608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).