2-bromo-4-tert-butyl-5-fluorophenol

C10H12BrFO — CID 69407920

IUPAC2-bromo-4-tert-butyl-5-fluorophenol
SMILESCC(C)(C)c1cc(Br)c(O)cc1F
InChIInChI=1S/C10H12BrFO/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5,13H,1-3H3
InChIKeyPMPHVTZVLFQNNT-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.59
Rot. Bonds

About 2-bromo-4-tert-butyl-5-fluorophenol

2-bromo-4-tert-butyl-5-fluorophenol (PubChem CID 69407920) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-5-fluorophenol.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-5-fluorophenol
PubChem CID69407920
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name2-bromo-4-tert-butyl-5-fluorophenol
SMILESCC(C)(C)c1cc(Br)c(O)cc1F
InChIInChI=1S/C10H12BrFO/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5,13H,1-3H3
InChIKeyPMPHVTZVLFQNNT-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-5-fluorophenol?
The IUPAC name of 2-bromo-4-tert-butyl-5-fluorophenol (CID 69407920) is 2-bromo-4-tert-butyl-5-fluorophenol.
What is the SMILES notation for 2-bromo-4-tert-butyl-5-fluorophenol?
The canonical SMILES for 2-bromo-4-tert-butyl-5-fluorophenol is CC(C)(C)c1cc(Br)c(O)cc1F.
What is the InChIKey of 2-bromo-4-tert-butyl-5-fluorophenol?
The InChIKey is PMPHVTZVLFQNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5,13H,1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-5-fluorophenol?
2-bromo-4-tert-butyl-5-fluorophenol has a molecular weight of 247.11 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-5-fluorophenol is sourced from PubChem (CID 69407920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).