3-bromo-6-fluoro-2-propan-2-ylphenol

C9H10BrFO — CID 141114284

IUPAC3-bromo-6-fluoro-2-propan-2-ylphenol
SMILESCC(C)c1c(Br)ccc(F)c1O
InChIInChI=1S/C9H10BrFO/c1-5(2)8-6(10)3-4-7(11)9(8)12/h3-5,12H,1-2H3
InChIKeyGMKMRAZTJAEBHH-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.42
Rot. Bonds1

About 3-bromo-6-fluoro-2-propan-2-ylphenol

3-bromo-6-fluoro-2-propan-2-ylphenol (PubChem CID 141114284) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-propan-2-ylphenol.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-propan-2-ylphenol
PubChem CID141114284
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name3-bromo-6-fluoro-2-propan-2-ylphenol
SMILESCC(C)c1c(Br)ccc(F)c1O
InChIInChI=1S/C9H10BrFO/c1-5(2)8-6(10)3-4-7(11)9(8)12/h3-5,12H,1-2H3
InChIKeyGMKMRAZTJAEBHH-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2-propan-2-ylphenol?
The IUPAC name of 3-bromo-6-fluoro-2-propan-2-ylphenol (CID 141114284) is 3-bromo-6-fluoro-2-propan-2-ylphenol.
What is the SMILES notation for 3-bromo-6-fluoro-2-propan-2-ylphenol?
The canonical SMILES for 3-bromo-6-fluoro-2-propan-2-ylphenol is CC(C)c1c(Br)ccc(F)c1O.
What is the InChIKey of 3-bromo-6-fluoro-2-propan-2-ylphenol?
The InChIKey is GMKMRAZTJAEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-5(2)8-6(10)3-4-7(11)9(8)12/h3-5,12H,1-2H3.
What are the key properties of 3-bromo-6-fluoro-2-propan-2-ylphenol?
3-bromo-6-fluoro-2-propan-2-ylphenol has a molecular weight of 233.08 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2-propan-2-ylphenol is sourced from PubChem (CID 141114284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).