2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol

C14H8Br2F6O2 — CID 160517438

IUPAC2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C(F)(F)F.Oc1ccccc1C(F)(F)F
InChIInChI=1S/C7H3Br2F3O.C7H5F3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3;8-7(9,10)5-3-1-2-4-6(5)11/h1-2,13H;1-4,11H
InChIKeyQTVJQGGUHICABW-UHFFFAOYSA-N
MW482.01 g/mol
LogP6.35
Rot. Bonds

About 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol

2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol (PubChem CID 160517438) has the molecular formula C14H8Br2F6O2 and a molecular weight of 482.01 g/mol. Its IUPAC name is 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
PubChem CID160517438
Molecular FormulaC14H8Br2F6O2
Molecular Weight482.01 g/mol
Exact Mass479.88
IUPAC Name2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C(F)(F)F.Oc1ccccc1C(F)(F)F
InChIInChI=1S/C7H3Br2F3O.C7H5F3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3;8-7(9,10)5-3-1-2-4-6(5)11/h1-2,13H;1-4,11H
InChIKeyQTVJQGGUHICABW-UHFFFAOYSA-N
XLogP6.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)phenol
CID 162212145
ethane;2-(trifluoromethyl)phenol
CID 142291947
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
1-bromo-2-(trifluoromethyl)benzene;phenol
CID 174917942
cyclopenta-1,3-diene;bis(2-(trifluoromethyl)phenol);zirconium
CID 154426888
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
CID 84815573
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
2-[(1S)-1-aminoethyl]-4-bromo-6-(trifluoromethyl)phenol;hydrochloride
CID 171255621
2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
benzyl [5-bromo-2-hydroxy-3-(trifluoromethyl)phenyl]sulfonylformate
CID 167053586

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol (CID 160517438) is 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol is Oc1c(Br)cc(Br)cc1C(F)(F)F.Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol?
The InChIKey is QTVJQGGUHICABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F3O.C7H5F3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3;8-7(9,10)5-3-1-2-4-6(5)11/h1-2,13H;1-4,11H.
What are the key properties of 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol?
2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol has a molecular weight of 482.01 g/mol, XLogP of 6.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol is sourced from PubChem (CID 160517438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).