2-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C8H7F3O2 — CID 2829295

IUPAC2-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESOc1ccccc1C(O)C(F)(F)F
InChIInChI=1S/C8H7F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,7,12-13H
InChIKeyMHTGXMCWGPMOFB-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.99
Rot. Bonds1

About 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 2829295) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID2829295
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name2-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESOc1ccccc1C(O)C(F)(F)F
InChIInChI=1S/C8H7F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,7,12-13H
InChIKeyMHTGXMCWGPMOFB-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 2829295) is 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol is Oc1ccccc1C(O)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is MHTGXMCWGPMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,7,12-13H.
What are the key properties of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 192.14 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 2829295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).