4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol

C9H6F6O2 — CID 578594

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
SMILESOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,16-17H
InChIKeyXBQISEWBYMWLET-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.70
Rot. Bonds1

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

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 578594) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
PubChem CID578594
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
SMILESOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,16-17H
InChIKeyXBQISEWBYMWLET-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

4-tert-Pentylphenol
CID 6643
4-tert-Butylphenol
CID 7393
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
Bis(4-hydroxyphenyl)methane
CID 12111
bisphenol AF
CID 73864
4-Isopropylphenol
CID 7465
4,4'-Dihydroxybiphenyl
CID 7112
4-Hydroxybiphenyl
CID 7103
4-n-Octylphenol
CID 15730
4-Propylphenol
CID 12580
4-sec-Butylphenol
CID 7453

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol (CID 578594) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol is Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is XBQISEWBYMWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,16-17H.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
4-(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 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 578594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).