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

C11H10F6O2 — CID 118535872

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H10F6O2/c1-5-3-6(2)8(18)7(4-5)9(19,10(12,13)14)11(15,16)17/h3-4,18-19H,1-2H3
InChIKeyKRDAZARVKGHHDN-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.32
Rot. Bonds1

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

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol (PubChem CID 118535872) has the molecular formula C11H10F6O2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol
PubChem CID118535872
Molecular FormulaC11H10F6O2
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H10F6O2/c1-5-3-6(2)8(18)7(4-5)9(19,10(12,13)14)11(15,16)17/h3-4,18-19H,1-2H3
InChIKeyKRDAZARVKGHHDN-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 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol (CID 118535872) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol?
The InChIKey is KRDAZARVKGHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O2/c1-5-3-6(2)8(18)7(4-5)9(19,10(12,13)14)11(15,16)17/h3-4,18-19H,1-2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol?
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-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 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol is sourced from PubChem (CID 118535872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).