2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol

C10H11F3O2 — CID 15541137

IUPAC2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol
SMILESCc1cc(OCC(F)(F)F)cc(C)c1O
InChIInChI=1S/C10H11F3O2/c1-6-3-8(4-7(2)9(6)14)15-5-10(11,12)13/h3-4,14H,5H2,1-2H3
InChIKeyBBKKBBXSPWMLKL-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.95
Rot. Bonds2

About 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol

2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol (PubChem CID 15541137) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol
PubChem CID15541137
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol
SMILESCc1cc(OCC(F)(F)F)cc(C)c1O
InChIInChI=1S/C10H11F3O2/c1-6-3-8(4-7(2)9(6)14)15-5-10(11,12)13/h3-4,14H,5H2,1-2H3
InChIKeyBBKKBBXSPWMLKL-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)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 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol?
The IUPAC name of 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol (CID 15541137) is 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol?
The canonical SMILES for 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol is Cc1cc(OCC(F)(F)F)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol?
The InChIKey is BBKKBBXSPWMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-6-3-8(4-7(2)9(6)14)15-5-10(11,12)13/h3-4,14H,5H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol?
2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol has a molecular weight of 220.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenol is sourced from PubChem (CID 15541137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).