(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol

C8H7BrClFO — CID 83001577

IUPAC(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
SMILESO[C@@H](CCl)c1ccc(Br)cc1F
InChIInChI=1S/C8H7BrClFO/c9-5-1-2-6(7(11)3-5)8(12)4-10/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyVTECYFFMWWNAQZ-QMMMGPOBSA-N
MW253.50 g/mol
LogP2.86
Rot. Bonds2

About (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol

(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol (PubChem CID 83001577) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
PubChem CID83001577
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
SMILESO[C@@H](CCl)c1ccc(Br)cc1F
InChIInChI=1S/C8H7BrClFO/c9-5-1-2-6(7(11)3-5)8(12)4-10/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyVTECYFFMWWNAQZ-QMMMGPOBSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590
4-[(1S)-2-chloro-1-hydroxyethyl]-3-fluorobenzonitrile
CID 130621170
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol?
The IUPAC name of (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol (CID 83001577) is (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol.
What is the SMILES notation for (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol?
The canonical SMILES for (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol is O[C@@H](CCl)c1ccc(Br)cc1F.
What is the InChIKey of (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol?
The InChIKey is VTECYFFMWWNAQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7BrClFO/c9-5-1-2-6(7(11)3-5)8(12)4-10/h1-3,8,12H,4H2/t8-/m0/s1.
What are the key properties of (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol?
(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol has a molecular weight of 253.50 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol is sourced from PubChem (CID 83001577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).