2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol

C9H6F6O2 — CID 134638836

IUPAC2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
SMILESOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1O
InChIInChI=1S/C9H6F6O2/c10-8(11,12)5-1-4(3-16)7(17)6(2-5)9(13,14)15/h1-2,16-17H,3H2
InChIKeyKYOTXLKPXZWABT-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.92
Rot. Bonds1

About 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol

2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol (PubChem CID 134638836) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
PubChem CID134638836
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
SMILESOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1O
InChIInChI=1S/C9H6F6O2/c10-8(11,12)5-1-4(3-16)7(17)6(2-5)9(13,14)15/h1-2,16-17H,3H2
InChIKeyKYOTXLKPXZWABT-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol?
The IUPAC name of 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol (CID 134638836) is 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol is OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol?
The InChIKey is KYOTXLKPXZWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c10-8(11,12)5-1-4(3-16)7(17)6(2-5)9(13,14)15/h1-2,16-17H,3H2.
What are the key properties of 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol?
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol has a molecular weight of 260.13 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol is sourced from PubChem (CID 134638836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).