(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol

C8H7BrClFO — CID 58572415

IUPAC(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
SMILESC[C@@H](O)c1cc(F)c(Cl)cc1Br
InChIInChI=1S/C8H7BrClFO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4,12H,1H3/t4-/m1/s1
InChIKeyUEMWKVSLNRYSFP-SCSAIBSYSA-N
MW253.50 g/mol
LogP3.29
Rot. Bonds1

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

(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol (PubChem CID 58572415) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
PubChem CID58572415
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
SMILESC[C@@H](O)c1cc(F)c(Cl)cc1Br
InChIInChI=1S/C8H7BrClFO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4,12H,1H3/t4-/m1/s1
InChIKeyUEMWKVSLNRYSFP-SCSAIBSYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
2-bromo-4-chloro-5-fluorophenol
CID 18997596
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 83001570
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
1-(3-bromo-4-chloro-5-fluorophenyl)ethanol
CID 117386869
1-(4-bromo-3-chloro-5-fluorophenyl)ethanol
CID 117386872
2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
CID 84812511
(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107991378

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol?
The IUPAC name of (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol (CID 58572415) is (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol?
The canonical SMILES for (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol is C[C@@H](O)c1cc(F)c(Cl)cc1Br.
What is the InChIKey of (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol?
The InChIKey is UEMWKVSLNRYSFP-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4,12H,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol?
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol has a molecular weight of 253.50 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol is sourced from PubChem (CID 58572415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).