[3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate

C101H149F35O34 — CID 157416333

About [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate

[3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate (PubChem CID 157416333) has the molecular formula C101H149F35O34 and a molecular weight of 2572.20 g/mol. Its IUPAC name is [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate
• PubChem CID: 157416333
• Molecular Formula: C101H149F35O34
• Molecular Weight: 2572.20 g/mol
• Exact Mass: 2570.94
• IUPAC Name: [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate
• SMILES: C.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC(F)(F)CC(C)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)CC(F)(F)CC(F)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)CC(F)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCCC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OCCC(=O)OCCC(C)(F)F.CCOC(=O)CCOC(=O)C(C)(C)CC
• InChI: InChI=1S/C16H17F11O4.C14H19F7O4.C14H20F4O6.C13H22F2O4.C12H17F5O4.C11H20O4.2C10H15F3O4.CH4/c1-4-10(2,3)9(29)30-6-5-8(28)31-7-11(17)12(18,19)14(22,23)16(26,27)15(24,25)13(11,20)21;1-4-11(2,3)10(23)24-5-9(22)25-8-13(17,18)6-12(15,16)7-14(19,20)21;1-5-12(2,3)11(21)23-6-9(19)22-7-10(20)24-14(17,18)8-13(4,15)16;1-5-12(2,3)11(17)19-8-6-10(16)18-9-7-13(4,14)15;1-4-10(2,3)9(19)20-5-8(18)21-7-11(13,14)6-12(15,16)17;1-5-11(3,4)10(13)15-8-7-9(12)14-6-2;2*1-4-9(2,3)8(15)16-5-7(14)17-6-10(11,12)13;/h4-7H2,1-3H3;4-8H2,1-3H3;5-8H2,1-4H3;5-9H2,1-4H3;4-7H2,1-3H3;5-8H2,1-4H3;2*4-6H2,1-3H3;1H4
• InChIKey: BOWSSPODHNZILH-UHFFFAOYSA-N
• XLogP: 24.35
• TPSA: 447.10 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 56
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2572.20
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

The IUPAC name of [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate (CID 157416333) is [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

The canonical SMILES for [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate is C.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC(F)(F)CC(C)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)CC(F)(F)CC(F)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)CC(F)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCC(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCCC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OCCC(=O)OCCC(C)(F)F.CCOC(=O)CCOC(=O)C(C)(C)CC.

What is the InChIKey of [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

The InChIKey is BOWSSPODHNZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F11O4.C14H19F7O4.C14H20F4O6.C13H22F2O4.C12H17F5O4.C11H20O4.2C10H15F3O4.CH4/c1-4-10(2,3)9(29)30-6-5-8(28)31-7-11(17)12(18,19)14(22,23)16(26,27)15(24,25)13(11,20)21;1-4-11(2,3)10(23)24-5-9(22)25-8-13(17,18)6-12(15,16)7-14(19,20)21;1-5-12(2,3)11(21)23-6-9(19)22-7-10(20)24-14(17,18)8-13(4,15)16;1-5-12(2,3)11(17)19-8-6-10(16)18-9-7-13(4,14)15;1-4-10(2,3)9(19)20-5-8(18)21-7-11(13,14)6-12(15,16)17;1-5-11(3,4)10(13)15-8-7-9(12)14-6-2;2*1-4-9(2,3)8(15)16-5-7(14)17-6-10(11,12)13;/h4-7H2,1-3H3;4-8H2,1-3H3;5-8H2,1-4H3;5-9H2,1-4H3;4-7H2,1-3H3;5-8H2,1-4H3;2*4-6H2,1-3H3;1H4.

What are the key properties of [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

[3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate has a molecular weight of 2572.20 g/mol, XLogP of 24.35, 56 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,3-difluorobutoxy)-3-oxopropyl] 2,2-dimethylbutanoate;(3-ethoxy-3-oxopropyl) 2,2-dimethylbutanoate;[2-(2,2,4,4,6,6,6-heptafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate;methane;[2-oxo-2-[2-oxo-2-(1,1,3,3-tetrafluorobutoxy)ethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,2,4,4,4-pentafluorobutoxy)ethyl] 2,2-dimethylbutanoate;bis([2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylbutanoate);[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 157416333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).