2-(2-bromo-3-chloro-6-fluorophenyl)ethanol

C8H7BrClFO — CID 117386874

IUPAC2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
SMILESOCCc1c(F)ccc(Cl)c1Br
InChIInChI=1S/C8H7BrClFO/c9-8-5(3-4-12)7(11)2-1-6(8)10/h1-2,12H,3-4H2
InChIKeyRLWMSMLNWJQPJA-UHFFFAOYSA-N
MW253.50 g/mol
LogP2.78
Rot. Bonds2

About 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol

2-(2-bromo-3-chloro-6-fluorophenyl)ethanol (PubChem CID 117386874) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
PubChem CID117386874
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
SMILESOCCc1c(F)ccc(Cl)c1Br
InChIInChI=1S/C8H7BrClFO/c9-8-5(3-4-12)7(11)2-1-6(8)10/h1-2,12H,3-4H2
InChIKeyRLWMSMLNWJQPJA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

2-bromo-1-chloro-4-fluoro-3-(2-methylsulfanylethyl)benzene
CID 130140602
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
2-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
CID 117341488
2,4-difluoro-3-(2-hydroxyethyl)phenol
CID 117277061
1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine
CID 117492571
2-bromo-3-chloro-6-fluoroaniline
CID 106701544
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
(2-bromo-3-chloro-6-methylphenyl)methanol
CID 131628561
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol (CID 117386874) is 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol is OCCc1c(F)ccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol?
The InChIKey is RLWMSMLNWJQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c9-8-5(3-4-12)7(11)2-1-6(8)10/h1-2,12H,3-4H2.
What are the key properties of 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol?
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol has a molecular weight of 253.50 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloro-6-fluorophenyl)ethanol is sourced from PubChem (CID 117386874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).