2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol

C11H12BrF3O2 — CID 155595299

IUPAC2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Br)c(OCC(F)(F)F)c1
InChIInChI=1S/C11H12BrF3O2/c1-10(2,16)7-3-4-8(12)9(5-7)17-6-11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyPJBMVXPUAPSRKD-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.62
Rot. Bonds3

About 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol

2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol (PubChem CID 155595299) has the molecular formula C11H12BrF3O2 and a molecular weight of 313.11 g/mol. Its IUPAC name is 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol
PubChem CID155595299
Molecular FormulaC11H12BrF3O2
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Br)c(OCC(F)(F)F)c1
InChIInChI=1S/C11H12BrF3O2/c1-10(2,16)7-3-4-8(12)9(5-7)17-6-11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyPJBMVXPUAPSRKD-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol 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-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol?
The IUPAC name of 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol (CID 155595299) is 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol is CC(C)(O)c1ccc(Br)c(OCC(F)(F)F)c1.
What is the InChIKey of 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol?
The InChIKey is PJBMVXPUAPSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3O2/c1-10(2,16)7-3-4-8(12)9(5-7)17-6-11(13,14)15/h3-5,16H,6H2,1-2H3.
What are the key properties of 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol?
2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol has a molecular weight of 313.11 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(2,2,2-trifluoroethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 155595299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).