1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

C12H12F6O2 — CID 23528246

IUPAC1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(O)(c1ccc(C(C)(O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H12F6O2/c1-9(19,11(13,14)15)7-3-5-8(6-4-7)10(2,20)12(16,17)18/h3-6,19-20H,1-2H3
InChIKeyOYSQBTLUHDYEDG-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.23
Rot. Bonds2

About 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 23528246) has the molecular formula C12H12F6O2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
PubChem CID23528246
Molecular FormulaC12H12F6O2
Molecular Weight302.21 g/mol
Exact Mass302.07
IUPAC Name1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(O)(c1ccc(C(C)(O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H12F6O2/c1-9(19,11(13,14)15)7-3-5-8(6-4-7)10(2,20)12(16,17)18/h3-6,19-20H,1-2H3
InChIKeyOYSQBTLUHDYEDG-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol (CID 23528246) is 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol is CC(O)(c1ccc(C(C)(O)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is OYSQBTLUHDYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O2/c1-9(19,11(13,14)15)7-3-5-8(6-4-7)10(2,20)12(16,17)18/h3-6,19-20H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 23528246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).