2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol

C9H6F6O2 — CID 11265423

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
SMILESOc1ccccc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,16-17H
InChIKeyCQFFEUNRMOPCFZ-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.70
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 11265423) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
PubChem CID11265423
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
SMILESOc1ccccc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,16-17H
InChIKeyCQFFEUNRMOPCFZ-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,1'-Biphenyl)-2-ol
CID 7017
Salicyl Alcohol
CID 5146
2-Ethylphenol
CID 6997
bisphenol AF
CID 73864
Nonylphenol
CID 67296
2-Isopropylphenol
CID 6943
2-Propylphenol
CID 12570
2-Tert-Butylphenol
CID 6923
2-sec-Butylphenol
CID 6984
2-Allylphenol
CID 15624
n-Octylphenol
CID 13700
(1,1'-Biphenyl)-2,2'-diol
CID 15731

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol (CID 11265423) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol is Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is CQFFEUNRMOPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,16-17H.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 260.13 g/mol, XLogP of 2.70, 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)phenol is sourced from PubChem (CID 11265423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).