(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol

C10H10BrF3O2 — CID 102948938

IUPAC(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-6(15)8-3-2-7(11)4-9(8)16-5-10(12,13)14/h2-4,6,15H,5H2,1H3/t6-/m0/s1
InChIKeyVZCWSHKSKRUPJB-LURJTMIESA-N
MW299.09 g/mol
LogP3.44
Rot. Bonds3

About (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol

(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol (PubChem CID 102948938) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
PubChem CID102948938
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-6(15)8-3-2-7(11)4-9(8)16-5-10(12,13)14/h2-4,6,15H,5H2,1H3/t6-/m0/s1
InChIKeyVZCWSHKSKRUPJB-LURJTMIESA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 102948620
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 62379554
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide
CID 102948305
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol (CID 102948938) is (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol is C[C@H](O)c1ccc(Br)cc1OCC(F)(F)F.
What is the InChIKey of (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
The InChIKey is VZCWSHKSKRUPJB-LURJTMIESA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-6(15)8-3-2-7(11)4-9(8)16-5-10(12,13)14/h2-4,6,15H,5H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol has a molecular weight of 299.09 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol is sourced from PubChem (CID 102948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).