[4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate

C31H26F26O8 — CID 90930060

About [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate

[4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate (PubChem CID 90930060) has the molecular formula C31H26F26O8 and a molecular weight of 1020.49 g/mol. Its IUPAC name is [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

• Compound Name: [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate
• PubChem CID: 90930060
• Molecular Formula: C31H26F26O8
• Molecular Weight: 1020.49 g/mol
• Exact Mass: 1020.12
• IUPAC Name: [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate
• SMILES: C=C(C(=O)OC1(C(F)(F)F)OC(C(F)(F)F)C(F)(F)C(C)(O)C1(F)F)C(F)(F)F.C=C(C(=O)OC1(C(F)(F)F)OC(CC)(C(F)(F)F)C(F)(F)C(O)(C2CCCCC2)C1(F)F)C(F)(F)F
• InChI: InChI=1S/C19H19F13O4.C12H7F13O4/c1-3-12(18(27,28)29)15(23,24)13(34,10-7-5-4-6-8-10)16(25,26)17(36-12,19(30,31)32)35-11(33)9(2)14(20,21)22;1-3(8(15,16)17)4(26)28-11(12(23,24)25)10(21,22)6(2,27)7(13,14)5(29-11)9(18,19)20/h10,34H,2-8H2,1H3;5,27H,1H2,2H3
• InChIKey: HSECKEQSOCUYFS-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.49
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	2
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-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate?

The IUPAC name of [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate (CID 90930060) is [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate.

What is the SMILES notation for [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate?

The canonical SMILES for [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OC1(C(F)(F)F)OC(C(F)(F)F)C(F)(F)C(C)(O)C1(F)F)C(F)(F)F.C=C(C(=O)OC1(C(F)(F)F)OC(CC)(C(F)(F)F)C(F)(F)C(O)(C2CCCCC2)C1(F)F)C(F)(F)F.

What is the InChIKey of [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate?

The InChIKey is HSECKEQSOCUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F13O4.C12H7F13O4/c1-3-12(18(27,28)29)15(23,24)13(34,10-7-5-4-6-8-10)16(25,26)17(36-12,19(30,31)32)35-11(33)9(2)14(20,21)22;1-3(8(15,16)17)4(26)28-11(12(23,24)25)10(21,22)6(2,27)7(13,14)5(29-11)9(18,19)20/h10,34H,2-8H2,1H3;5,27H,1H2,2H3.

What are the key properties of [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate?

[4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 1020.49 g/mol, XLogP of 10.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 90930060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).