2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol

C12H10F6O2 — CID 90057088

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(O)c1
InChIInChI=1S/C12H10F6O2/c1-6(2)7-3-4-8(9(19)5-7)10(20,11(13,14)15)12(16,17)18/h3-5,19-20H,1H2,2H3
InChIKeyQYBIKVBYHRRHBQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.74
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol (PubChem CID 90057088) has the molecular formula C12H10F6O2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol
PubChem CID90057088
Molecular FormulaC12H10F6O2
Molecular Weight300.20 g/mol
Exact Mass300.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(O)c1
InChIInChI=1S/C12H10F6O2/c1-6(2)7-3-4-8(9(19)5-7)10(20,11(13,14)15)12(16,17)18/h3-5,19-20H,1H2,2H3
InChIKeyQYBIKVBYHRRHBQ-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.74
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)-5-prop-1-en-2-ylphenol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol (CID 90057088) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol is C=C(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(O)c1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol?
The InChIKey is QYBIKVBYHRRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O2/c1-6(2)7-3-4-8(9(19)5-7)10(20,11(13,14)15)12(16,17)18/h3-5,19-20H,1H2,2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol?
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-prop-1-en-2-ylphenol has a molecular weight of 300.20 g/mol, XLogP of 3.74, 2 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)-5-prop-1-en-2-ylphenol is sourced from PubChem (CID 90057088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).