(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol

C8H5BrF4O — CID 124636890

IUPAC(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1cc(F)cc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H5BrF4O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1
InChIKeyLTRPGOFDEZKCHX-SSDOTTSWSA-N
MW273.02 g/mol
LogP3.18
Rot. Bonds1

About (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol

(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol (PubChem CID 124636890) has the molecular formula C8H5BrF4O and a molecular weight of 273.02 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
PubChem CID124636890
Molecular FormulaC8H5BrF4O
Molecular Weight273.02 g/mol
Exact Mass271.95
IUPAC Name(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1cc(F)cc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H5BrF4O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1
InChIKeyLTRPGOFDEZKCHX-SSDOTTSWSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
(1S)-1-(3-bromo-5-fluorophenyl)prop-2-yn-1-ol
CID 130563369
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
methyl 3-bromo-5-(2,2,2-trifluoro-1-hydroxyethyl)benzoate
CID 58188392
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312309
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol (CID 124636890) is (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol is O[C@H](c1cc(F)cc(Br)c1)C(F)(F)F.
What is the InChIKey of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol?
The InChIKey is LTRPGOFDEZKCHX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5BrF4O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol?
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol has a molecular weight of 273.02 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 124636890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).