6-bromo-2-ethyl-3-fluorophenol

C8H8BrFO — CID 130713861

IUPAC6-bromo-2-ethyl-3-fluorophenol
SMILESCCc1c(F)ccc(Br)c1O
InChIInChI=1S/C8H8BrFO/c1-2-5-7(10)4-3-6(9)8(5)11/h3-4,11H,2H2,1H3
InChIKeyKIKAWOUJIRUYOJ-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.86
Rot. Bonds1

About 6-bromo-2-ethyl-3-fluorophenol

6-bromo-2-ethyl-3-fluorophenol (PubChem CID 130713861) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3-fluorophenol.

Molecular Properties

Compound Name6-bromo-2-ethyl-3-fluorophenol
PubChem CID130713861
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name6-bromo-2-ethyl-3-fluorophenol
SMILESCCc1c(F)ccc(Br)c1O
InChIInChI=1S/C8H8BrFO/c1-2-5-7(10)4-3-6(9)8(5)11/h3-4,11H,2H2,1H3
InChIKeyKIKAWOUJIRUYOJ-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 83895378
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
CID 84710938
2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
CID 130140582
3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
CID 117341488
2-ethyl-3,4-difluorophenol
CID 130218632
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-fluorophenol
CID 130934021

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3-fluorophenol?
The IUPAC name of 6-bromo-2-ethyl-3-fluorophenol (CID 130713861) is 6-bromo-2-ethyl-3-fluorophenol.
What is the SMILES notation for 6-bromo-2-ethyl-3-fluorophenol?
The canonical SMILES for 6-bromo-2-ethyl-3-fluorophenol is CCc1c(F)ccc(Br)c1O.
What is the InChIKey of 6-bromo-2-ethyl-3-fluorophenol?
The InChIKey is KIKAWOUJIRUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-2-5-7(10)4-3-6(9)8(5)11/h3-4,11H,2H2,1H3.
What are the key properties of 6-bromo-2-ethyl-3-fluorophenol?
6-bromo-2-ethyl-3-fluorophenol has a molecular weight of 219.05 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3-fluorophenol is sourced from PubChem (CID 130713861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).