1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol

C11H6F12O4 — CID 2828261

IUPAC1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol
SMILESOC(OCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F12O4/c12-8(13,14)6(24,9(15,16)17)5-2-1-4(27-5)3-26-7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3H2
InChIKeyCKTYUVDYEJBNJT-UHFFFAOYSA-N
MW430.14 g/mol
LogP3.92
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol (PubChem CID 2828261) has the molecular formula C11H6F12O4 and a molecular weight of 430.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol
PubChem CID2828261
Molecular FormulaC11H6F12O4
Molecular Weight430.14 g/mol
Exact Mass430.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol
SMILESOC(OCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F12O4/c12-8(13,14)6(24,9(15,16)17)5-2-1-4(27-5)3-26-7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3H2
InChIKeyCKTYUVDYEJBNJT-UHFFFAOYSA-N
XLogP3.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol (CID 2828261) is 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol is OC(OCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol?
The InChIKey is CKTYUVDYEJBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F12O4/c12-8(13,14)6(24,9(15,16)17)5-2-1-4(27-5)3-26-7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol has a molecular weight of 430.14 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[5-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]furan-2-yl]propan-2-ol is sourced from PubChem (CID 2828261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).