(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol

C8H6BrCl2FO — CID 83001570

IUPAC(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
SMILESO[C@@H](CBr)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C8H6BrCl2FO/c9-3-8(13)4-1-7(12)6(11)2-5(4)10/h1-2,8,13H,3H2/t8-/m0/s1
InChIKeyITYRMVOQRLRBSC-QMMMGPOBSA-N
MW287.94 g/mol
LogP3.56
Rot. Bonds2

About (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol

(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol (PubChem CID 83001570) has the molecular formula C8H6BrCl2FO and a molecular weight of 287.94 g/mol. Its IUPAC name is (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
PubChem CID83001570
Molecular FormulaC8H6BrCl2FO
Molecular Weight287.94 g/mol
Exact Mass285.90
IUPAC Name(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
SMILESO[C@@H](CBr)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C8H6BrCl2FO/c9-3-8(13)4-1-7(12)6(11)2-5(4)10/h1-2,8,13H,3H2/t8-/m0/s1
InChIKeyITYRMVOQRLRBSC-QMMMGPOBSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)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

(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-ol
CID 107477160
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 115808880
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
CID 115819128
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol (CID 83001570) is (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol is O[C@@H](CBr)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol?
The InChIKey is ITYRMVOQRLRBSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6BrCl2FO/c9-3-8(13)4-1-7(12)6(11)2-5(4)10/h1-2,8,13H,3H2/t8-/m0/s1.
What are the key properties of (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol?
(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol has a molecular weight of 287.94 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol is sourced from PubChem (CID 83001570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).