4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol

C11H10F6O2 — CID 706609

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1O
InChIInChI=1S/C11H10F6O2/c1-5-3-7(4-6(2)8(5)18)9(19,10(12,13)14)11(15,16)17/h3-4,18-19H,1-2H3
InChIKeyPPLUCWYIORHPOB-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.32
Rot. Bonds1

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol (PubChem CID 706609) has the molecular formula C11H10F6O2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol
PubChem CID706609
Molecular FormulaC11H10F6O2
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1O
InChIInChI=1S/C11H10F6O2/c1-5-3-7(4-6(2)8(5)18)9(19,10(12,13)14)11(15,16)17/h3-4,18-19H,1-2H3
InChIKeyPPLUCWYIORHPOB-UHFFFAOYSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol (CID 706609) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1O.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol?
The InChIKey is PPLUCWYIORHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O2/c1-5-3-7(4-6(2)8(5)18)9(19,10(12,13)14)11(15,16)17/h3-4,18-19H,1-2H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol has a molecular weight of 288.19 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenol is sourced from PubChem (CID 706609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).