4-bromo-3-ethyl-5-fluorophenol

C8H8BrFO — CID 130749007

IUPAC4-bromo-3-ethyl-5-fluorophenol
SMILESCCc1cc(O)cc(F)c1Br
InChIInChI=1S/C8H8BrFO/c1-2-5-3-6(11)4-7(10)8(5)9/h3-4,11H,2H2,1H3
InChIKeyBQNCJWPXHHSPLY-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.86
Rot. Bonds1

About 4-bromo-3-ethyl-5-fluorophenol

4-bromo-3-ethyl-5-fluorophenol (PubChem CID 130749007) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 4-bromo-3-ethyl-5-fluorophenol.

Molecular Properties

Compound Name4-bromo-3-ethyl-5-fluorophenol
PubChem CID130749007
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name4-bromo-3-ethyl-5-fluorophenol
SMILESCCc1cc(O)cc(F)c1Br
InChIInChI=1S/C8H8BrFO/c1-2-5-3-6(11)4-7(10)8(5)9/h3-4,11H,2H2,1H3
InChIKeyBQNCJWPXHHSPLY-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethyl-5-fluorophenol?
The IUPAC name of 4-bromo-3-ethyl-5-fluorophenol (CID 130749007) is 4-bromo-3-ethyl-5-fluorophenol.
What is the SMILES notation for 4-bromo-3-ethyl-5-fluorophenol?
The canonical SMILES for 4-bromo-3-ethyl-5-fluorophenol is CCc1cc(O)cc(F)c1Br.
What is the InChIKey of 4-bromo-3-ethyl-5-fluorophenol?
The InChIKey is BQNCJWPXHHSPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-2-5-3-6(11)4-7(10)8(5)9/h3-4,11H,2H2,1H3.
What are the key properties of 4-bromo-3-ethyl-5-fluorophenol?
4-bromo-3-ethyl-5-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 4-bromo-3-ethyl-5-fluorophenol is sourced from PubChem (CID 130749007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).