4-bromo-2-fluoro-3-(trifluoromethyl)phenol

C7H3BrF4O — CID 130881753

IUPAC4-bromo-2-fluoro-3-(trifluoromethyl)phenol
SMILESOc1ccc(Br)c(C(F)(F)F)c1F
InChIInChI=1S/C7H3BrF4O/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2,13H
InChIKeyYKCHHKRZNGNGPT-UHFFFAOYSA-N
MW259.00 g/mol
LogP3.31
Rot. Bonds

About 4-bromo-2-fluoro-3-(trifluoromethyl)phenol

4-bromo-2-fluoro-3-(trifluoromethyl)phenol (PubChem CID 130881753) has the molecular formula C7H3BrF4O and a molecular weight of 259.00 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-(trifluoromethyl)phenol
PubChem CID130881753
Molecular FormulaC7H3BrF4O
Molecular Weight259.00 g/mol
Exact Mass257.93
IUPAC Name4-bromo-2-fluoro-3-(trifluoromethyl)phenol
SMILESOc1ccc(Br)c(C(F)(F)F)c1F
InChIInChI=1S/C7H3BrF4O/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2,13H
InChIKeyYKCHHKRZNGNGPT-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.00
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)phenol?
The IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)phenol (CID 130881753) is 4-bromo-2-fluoro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-bromo-2-fluoro-3-(trifluoromethyl)phenol is Oc1ccc(Br)c(C(F)(F)F)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-(trifluoromethyl)phenol?
The InChIKey is YKCHHKRZNGNGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2,13H.
What are the key properties of 4-bromo-2-fluoro-3-(trifluoromethyl)phenol?
4-bromo-2-fluoro-3-(trifluoromethyl)phenol has a molecular weight of 259.00 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 130881753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).