1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane

C19H24F12O4 — CID 58776675

About 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane

1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane (PubChem CID 58776675) has the molecular formula C19H24F12O4 and a molecular weight of 544.37 g/mol. Its IUPAC name is 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane.

Molecular Properties

• Compound Name: 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
• PubChem CID: 58776675
• Molecular Formula: C19H24F12O4
• Molecular Weight: 544.37 g/mol
• Exact Mass: 544.15
• IUPAC Name: 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
• SMILES: C=COCCOC(C1CCC(C(OCOCC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C19H24F12O4/c1-3-32-9-10-34-14(16(20,21)22,17(23,24)25)12-5-7-13(8-6-12)15(18(26,27)28,19(29,30)31)35-11-33-4-2/h3,12-13H,1,4-11H2,2H3
• InChIKey: DVNZNQXYAPQXFI-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.37
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?

The IUPAC name of 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane (CID 58776675) is 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane.

What is the SMILES notation for 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?

The canonical SMILES for 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane is C=COCCOC(C1CCC(C(OCOCC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?

The InChIKey is DVNZNQXYAPQXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F12O4/c1-3-32-9-10-34-14(16(20,21)22,17(23,24)25)12-5-7-13(8-6-12)15(18(26,27)28,19(29,30)31)35-11-33-4-2/h3,12-13H,1,4-11H2,2H3.

What are the key properties of 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?

1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane has a molecular weight of 544.37 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane is sourced from PubChem (CID 58776675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).