5-bromo-2,4-bis(trifluoromethyl)phenol

C8H3BrF6O — CID 119013784

IUPAC5-bromo-2,4-bis(trifluoromethyl)phenol
SMILESOc1cc(Br)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H3BrF6O/c9-5-2-6(16)4(8(13,14)15)1-3(5)7(10,11)12/h1-2,16H
InChIKeyFMQHFNABRYGZOV-UHFFFAOYSA-N
MW309.00 g/mol
LogP4.19
Rot. Bonds

About 5-bromo-2,4-bis(trifluoromethyl)phenol

5-bromo-2,4-bis(trifluoromethyl)phenol (PubChem CID 119013784) has the molecular formula C8H3BrF6O and a molecular weight of 309.00 g/mol. Its IUPAC name is 5-bromo-2,4-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-bromo-2,4-bis(trifluoromethyl)phenol
PubChem CID119013784
Molecular FormulaC8H3BrF6O
Molecular Weight309.00 g/mol
Exact Mass307.93
IUPAC Name5-bromo-2,4-bis(trifluoromethyl)phenol
SMILESOc1cc(Br)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H3BrF6O/c9-5-2-6(16)4(8(13,14)15)1-3(5)7(10,11)12/h1-2,16H
InChIKeyFMQHFNABRYGZOV-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

2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932
5-sulfanyl-2,4-bis(trifluoromethyl)phenol
CID 119023774
4-bromo-2-nitro-5-(trifluoromethyl)phenol
CID 86727299
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933
2-(2-bromo-4,5-dihydroxyphenyl)-2-fluoropropanoic acid
CID 105426090
1-bromo-2,4-bis(trifluoromethyl)-5-(trifluoromethylsulfanyl)benzene
CID 134617845
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268
4-[4-hydroxy-2,5-bis(trifluoromethyl)phenyl]sulfanyl-2,5-bis(trifluoromethyl)phenol
CID 54220764
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
1-[2,5-dibromo-4-(trifluoromethyl)phenyl]ethanone
CID 171005665
5-amino-4-fluoro-2-(trifluoromethyl)phenol
CID 130766695

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-bis(trifluoromethyl)phenol?
The IUPAC name of 5-bromo-2,4-bis(trifluoromethyl)phenol (CID 119013784) is 5-bromo-2,4-bis(trifluoromethyl)phenol.
What is the SMILES notation for 5-bromo-2,4-bis(trifluoromethyl)phenol?
The canonical SMILES for 5-bromo-2,4-bis(trifluoromethyl)phenol is Oc1cc(Br)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-2,4-bis(trifluoromethyl)phenol?
The InChIKey is FMQHFNABRYGZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6O/c9-5-2-6(16)4(8(13,14)15)1-3(5)7(10,11)12/h1-2,16H.
What are the key properties of 5-bromo-2,4-bis(trifluoromethyl)phenol?
5-bromo-2,4-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 5-bromo-2,4-bis(trifluoromethyl)phenol is sourced from PubChem (CID 119013784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).