3-bromo-4-(2-fluoropropan-2-yl)phenol

C9H10BrFO — CID 84696353

IUPAC3-bromo-4-(2-fluoropropan-2-yl)phenol
SMILESCC(C)(F)c1ccc(O)cc1Br
InChIInChI=1S/C9H10BrFO/c1-9(2,11)7-4-3-6(12)5-8(7)10/h3-5,12H,1-2H3
InChIKeyYFQVJJIBWQGOLM-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.36
Rot. Bonds1

About 3-bromo-4-(2-fluoropropan-2-yl)phenol

3-bromo-4-(2-fluoropropan-2-yl)phenol (PubChem CID 84696353) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 3-bromo-4-(2-fluoropropan-2-yl)phenol.

Molecular Properties

Compound Name3-bromo-4-(2-fluoropropan-2-yl)phenol
PubChem CID84696353
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name3-bromo-4-(2-fluoropropan-2-yl)phenol
SMILESCC(C)(F)c1ccc(O)cc1Br
InChIInChI=1S/C9H10BrFO/c1-9(2,11)7-4-3-6(12)5-8(7)10/h3-5,12H,1-2H3
InChIKeyYFQVJJIBWQGOLM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-fluoropropan-2-yl)phenol?
The IUPAC name of 3-bromo-4-(2-fluoropropan-2-yl)phenol (CID 84696353) is 3-bromo-4-(2-fluoropropan-2-yl)phenol.
What is the SMILES notation for 3-bromo-4-(2-fluoropropan-2-yl)phenol?
The canonical SMILES for 3-bromo-4-(2-fluoropropan-2-yl)phenol is CC(C)(F)c1ccc(O)cc1Br.
What is the InChIKey of 3-bromo-4-(2-fluoropropan-2-yl)phenol?
The InChIKey is YFQVJJIBWQGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-9(2,11)7-4-3-6(12)5-8(7)10/h3-5,12H,1-2H3.
What are the key properties of 3-bromo-4-(2-fluoropropan-2-yl)phenol?
3-bromo-4-(2-fluoropropan-2-yl)phenol has a molecular weight of 233.08 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-fluoropropan-2-yl)phenol is sourced from PubChem (CID 84696353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).