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

C18H24F12O4 — CID 23597946

IUPAC2-[3-butan-2-yloxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(OCOC)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C18H24F12O4/c1-4-9(2)34-12-6-10(13(31,15(19,20)21)16(22,23)24)5-11(7-12)14(17(25,26)27,18(28,29)30)33-8-32-3/h9-12,31H,4-8H2,1-3H3
InChIKeyCGVGNONROHDUSS-UHFFFAOYSA-N
MW532.36 g/mol
LogP5.93
Rot. Bonds8

About 2-[3-butan-2-yloxy-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-butan-2-yloxy-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 23597946) has the molecular formula C18H24F12O4 and a molecular weight of 532.36 g/mol. Its IUPAC name is 2-[3-butan-2-yloxy-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-butan-2-yloxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID23597946
Molecular FormulaC18H24F12O4
Molecular Weight532.36 g/mol
Exact Mass532.15
IUPAC Name2-[3-butan-2-yloxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(OCOC)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C18H24F12O4/c1-4-9(2)34-12-6-10(13(31,15(19,20)21)16(22,23)24)5-11(7-12)14(17(25,26)27,18(28,29)30)33-8-32-3/h9-12,31H,4-8H2,1-3H3
InChIKeyCGVGNONROHDUSS-UHFFFAOYSA-N
XLogP5.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.36
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-butan-2-yloxy-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-butan-2-yloxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 23597946) is 2-[3-butan-2-yloxy-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-butan-2-yloxy-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-butan-2-yloxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)OC1CC(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-butan-2-yloxy-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 CGVGNONROHDUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F12O4/c1-4-9(2)34-12-6-10(13(31,15(19,20)21)16(22,23)24)5-11(7-12)14(17(25,26)27,18(28,29)30)33-8-32-3/h9-12,31H,4-8H2,1-3H3.
What are the key properties of 2-[3-butan-2-yloxy-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-butan-2-yloxy-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 532.36 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-butan-2-yloxy-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 23597946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).