6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol

C8H3BrF6O2 — CID 171005471

IUPAC6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
SMILESOc1c(Br)ccc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3BrF6O2/c9-4-2-1-3(7(10,11)12)6(5(4)16)17-8(13,14)15/h1-2,16H
InChIKeyPYDZTQZSKGUMPC-UHFFFAOYSA-N
MW325.00 g/mol
LogP4.07
Rot. Bonds1

About 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol

6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol (PubChem CID 171005471) has the molecular formula C8H3BrF6O2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
PubChem CID171005471
Molecular FormulaC8H3BrF6O2
Molecular Weight325.00 g/mol
Exact Mass323.92
IUPAC Name6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
SMILESOc1c(Br)ccc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3BrF6O2/c9-4-2-1-3(7(10,11)12)6(5(4)16)17-8(13,14)15/h1-2,16H
InChIKeyPYDZTQZSKGUMPC-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-methyl-3-(trifluoromethyl)phenol
CID 131341136
3-bromo-2,6-bis(trifluoromethyl)phenol
CID 118997062
2-amino-3-bromo-6-(trifluoromethyl)phenol
CID 130691630
3-bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile
CID 122237209
2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 146293235
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255690
1-bromo-4-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171008829
1-bromo-2,3,4-tris(trifluoromethyl)benzene
CID 18349903
methyl (3S)-3-amino-3-[3-bromo-2-hydroxy-6-(trifluoromethyl)phenyl]propanoate
CID 171255683
2-[(1S)-1-aminobut-3-enyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255695
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171259060
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol
CID 171256661

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol?
The IUPAC name of 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol (CID 171005471) is 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol?
The canonical SMILES for 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol is Oc1c(Br)ccc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol?
The InChIKey is PYDZTQZSKGUMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6O2/c9-4-2-1-3(7(10,11)12)6(5(4)16)17-8(13,14)15/h1-2,16H.
What are the key properties of 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol?
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol has a molecular weight of 325.00 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 171005471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).