(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol

C11H12BrF3O3 — CID 102948620

IUPAC(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCCOC(F)(F)F
InChIInChI=1S/C11H12BrF3O3/c1-7(16)9-3-2-8(12)6-10(9)17-4-5-18-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3/t7-/m1/s1
InChIKeyGWGODFWETVNBKZ-SSDOTTSWSA-N
MW329.11 g/mol
LogP3.42
Rot. Bonds5

About (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol

(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol (PubChem CID 102948620) has the molecular formula C11H12BrF3O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
PubChem CID102948620
Molecular FormulaC11H12BrF3O3
Molecular Weight329.11 g/mol
Exact Mass327.99
IUPAC Name(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCCOC(F)(F)F
InChIInChI=1S/C11H12BrF3O3/c1-7(16)9-3-2-8(12)6-10(9)17-4-5-18-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3/t7-/m1/s1
InChIKeyGWGODFWETVNBKZ-SSDOTTSWSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 107284110
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240
(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
CID 102948566
(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 78996570
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol (CID 102948620) is (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol is C[C@@H](O)c1ccc(Br)cc1OCCOC(F)(F)F.
What is the InChIKey of (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
The InChIKey is GWGODFWETVNBKZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12BrF3O3/c1-7(16)9-3-2-8(12)6-10(9)17-4-5-18-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol has a molecular weight of 329.11 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 102948620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).