3-bromo-2,6-bis(trifluoromethyl)phenol

C8H3BrF6O — CID 118997062

IUPAC3-bromo-2,6-bis(trifluoromethyl)phenol
SMILESOc1c(C(F)(F)F)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C8H3BrF6O/c9-4-2-1-3(7(10,11)12)6(16)5(4)8(13,14)15/h1-2,16H
InChIKeyVZWHOKHAEVENCT-UHFFFAOYSA-N
MW309.00 g/mol
LogP4.19
Rot. Bonds

About 3-bromo-2,6-bis(trifluoromethyl)phenol

3-bromo-2,6-bis(trifluoromethyl)phenol (PubChem CID 118997062) has the molecular formula C8H3BrF6O and a molecular weight of 309.00 g/mol. Its IUPAC name is 3-bromo-2,6-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-bromo-2,6-bis(trifluoromethyl)phenol
PubChem CID118997062
Molecular FormulaC8H3BrF6O
Molecular Weight309.00 g/mol
Exact Mass307.93
IUPAC Name3-bromo-2,6-bis(trifluoromethyl)phenol
SMILESOc1c(C(F)(F)F)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C8H3BrF6O/c9-4-2-1-3(7(10,11)12)6(16)5(4)8(13,14)15/h1-2,16H
InChIKeyVZWHOKHAEVENCT-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2,3,4-tris(trifluoromethyl)benzene
CID 18349903
2-amino-3-bromo-6-(trifluoromethyl)phenol
CID 130691630
6-bromo-2-methyl-3-(trifluoromethyl)phenol
CID 131341136
4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753
3-bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile
CID 122237209
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
CID 171005471
1-[4-bromo-2-hydroxy-3-(trifluoromethyl)phenyl]-2-chloroethanone
CID 171005402
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
1,3-dibromo-2-(trifluoromethyl)benzene
CID 56604724
3-bromo-6-fluoro-2-(trifluoromethyl)benzenethiol
CID 171008441
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255690
3-[6-bromo-2-fluoro-3-(trifluoromethyl)phenyl]pentan-3-ol
CID 171367511

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-bis(trifluoromethyl)phenol?
The IUPAC name of 3-bromo-2,6-bis(trifluoromethyl)phenol (CID 118997062) is 3-bromo-2,6-bis(trifluoromethyl)phenol.
What is the SMILES notation for 3-bromo-2,6-bis(trifluoromethyl)phenol?
The canonical SMILES for 3-bromo-2,6-bis(trifluoromethyl)phenol is Oc1c(C(F)(F)F)ccc(Br)c1C(F)(F)F.
What is the InChIKey of 3-bromo-2,6-bis(trifluoromethyl)phenol?
The InChIKey is VZWHOKHAEVENCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6O/c9-4-2-1-3(7(10,11)12)6(16)5(4)8(13,14)15/h1-2,16H.
What are the key properties of 3-bromo-2,6-bis(trifluoromethyl)phenol?
3-bromo-2,6-bis(trifluoromethyl)phenol has a molecular weight of 309.00 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-bis(trifluoromethyl)phenol is sourced from PubChem (CID 118997062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).