2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H18F12O4 — CID 23597951

IUPAC2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=COC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(OCOC)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C16H18F12O4/c1-3-31-10-5-8(11(29,13(17,18)19)14(20,21)22)4-9(6-10)12(15(23,24)25,16(26,27)28)32-7-30-2/h3,8-10,29H,1,4-7H2,2H3
InChIKeyOZICPQIVWTUQAH-UHFFFAOYSA-N
MW502.29 g/mol
LogP5.27
Rot. Bonds7

About 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 23597951) has the molecular formula C16H18F12O4 and a molecular weight of 502.29 g/mol. Its IUPAC name is 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID23597951
Molecular FormulaC16H18F12O4
Molecular Weight502.29 g/mol
Exact Mass502.10
IUPAC Name2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=COC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(OCOC)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C16H18F12O4/c1-3-31-10-5-8(11(29,13(17,18)19)14(20,21)22)4-9(6-10)12(15(23,24)25,16(26,27)28)32-7-30-2/h3,8-10,29H,1,4-7H2,2H3
InChIKeyOZICPQIVWTUQAH-UHFFFAOYSA-N
XLogP5.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.29
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 23597951) is 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C=COC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(OCOC)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is OZICPQIVWTUQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F12O4/c1-3-31-10-5-8(11(29,13(17,18)19)14(20,21)22)4-9(6-10)12(15(23,24)25,16(26,27)28)32-7-30-2/h3,8-10,29H,1,4-7H2,2H3.
What are the key properties of 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 502.29 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethenoxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 23597951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).