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

C8H7BrClFO — CID 69129583

IUPAC2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
SMILESOCCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C8H7BrClFO/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,12H,3-4H2
InChIKeyXJEVHTLKNMRNOL-UHFFFAOYSA-N
MW253.50 g/mol
LogP2.78
Rot. Bonds2

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

2-(3-bromo-6-chloro-2-fluorophenyl)ethanol (PubChem CID 69129583) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
PubChem CID69129583
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
SMILESOCCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C8H7BrClFO/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,12H,3-4H2
InChIKeyXJEVHTLKNMRNOL-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-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955
3-(3-bromo-6-chloro-2-fluorophenyl)propanoic acid
CID 84812174
3-(3-bromo-6-chloro-2-fluorophenyl)propanal
CID 117418213
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386874
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
3-bromo-6-chloro-2-fluorophenol
CID 66601002
1-bromo-4-chloro-2-fluoro-3-(isocyanatomethyl)benzene
CID 117415975

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol (CID 69129583) is 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol is OCCc1c(Cl)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol?
The InChIKey is XJEVHTLKNMRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,12H,3-4H2.
What are the key properties of 2-(3-bromo-6-chloro-2-fluorophenyl)ethanol?
2-(3-bromo-6-chloro-2-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-(3-bromo-6-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 69129583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).