[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate

C27H20F28O8 — CID 162184737

About [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate

[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate (PubChem CID 162184737) has the molecular formula C27H20F28O8 and a molecular weight of 1004.39 g/mol. Its IUPAC name is [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate.

Molecular Properties

• Compound Name: [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate
• PubChem CID: 162184737
• Molecular Formula: C27H20F28O8
• Molecular Weight: 1004.39 g/mol
• Exact Mass: 1004.07
• IUPAC Name: [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate
• SMILES: C=CC(=O)OCC1CCC(COC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(C)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)CC1
• InChI: InChI=1S/C27H20F28O8/c1-3-12(56)58-8-10-4-6-11(7-5-10)9-59-13(57)15(29,20(36,37)38)60-25(50,51)16(30,21(39,40)41)62-27(54,55)18(32,23(45,46)47)63-26(52,53)17(31,22(42,43)44)61-24(48,49)14(2,28)19(33,34)35/h3,10-11H,1,4-9H2,2H3
• InChIKey: HCISEOHBYSDCBD-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.39
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate?

The IUPAC name of [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate (CID 162184737) is [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate.

What is the SMILES notation for [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate?

The canonical SMILES for [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate is C=CC(=O)OCC1CCC(COC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(C)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)CC1.

What is the InChIKey of [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate?

The InChIKey is HCISEOHBYSDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F28O8/c1-3-12(56)58-8-10-4-6-11(7-5-10)9-59-13(57)15(29,20(36,37)38)60-25(50,51)16(30,21(39,40)41)62-27(54,55)18(32,23(45,46)47)63-26(52,53)17(31,22(42,43)44)61-24(48,49)14(2,28)19(33,34)35/h3,10-11H,1,4-9H2,2H3.

What are the key properties of [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate?

[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate has a molecular weight of 1004.39 g/mol, XLogP of 10.71, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoro-2-methylpropoxy)propoxy]propoxy]propoxy]propanoate is sourced from PubChem (CID 162184737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).