(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol

C9H8BrF3O2 — CID 95240913

IUPAC(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol
SMILESO[C@@H](COC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C9H8BrF3O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1
InChIKeyWNXADIFIMGUMOE-QMMMGPOBSA-N
MW285.06 g/mol
LogP3.02
Rot. Bonds3

About (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol

(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol (PubChem CID 95240913) has the molecular formula C9H8BrF3O2 and a molecular weight of 285.06 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol
PubChem CID95240913
Molecular FormulaC9H8BrF3O2
Molecular Weight285.06 g/mol
Exact Mass283.97
IUPAC Name(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol
SMILESO[C@@H](COC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C9H8BrF3O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1
InChIKeyWNXADIFIMGUMOE-QMMMGPOBSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine
CID 95240919
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156765992
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
1-bromo-2-[2-bromo-1-(trifluoromethoxy)ethyl]benzene
CID 123131823
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416024
(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol
CID 7055498
1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
CID 65476845
3-(2-bromophenyl)-2,2-difluoro-3-hydroxypropanenitrile
CID 62706757
1-(2-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 10945258
1-(2-bromophenyl)-2-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 166235557

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol?
The IUPAC name of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol (CID 95240913) is (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol?
The canonical SMILES for (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol is O[C@@H](COC(F)(F)F)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol?
The InChIKey is WNXADIFIMGUMOE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8BrF3O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol?
(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol has a molecular weight of 285.06 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol is sourced from PubChem (CID 95240913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).