5-bromo-2-fluoro-4-(trifluoromethoxy)phenol

C7H3BrF4O2 — CID 130863182

IUPAC5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
SMILESOc1cc(Br)c(OC(F)(F)F)cc1F
InChIInChI=1S/C7H3BrF4O2/c8-3-1-5(13)4(9)2-6(3)14-7(10,11)12/h1-2,13H
InChIKeyAISTYJCKDWVORG-UHFFFAOYSA-N
MW275.00 g/mol
LogP3.19
Rot. Bonds1

About 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol

5-bromo-2-fluoro-4-(trifluoromethoxy)phenol (PubChem CID 130863182) has the molecular formula C7H3BrF4O2 and a molecular weight of 275.00 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
PubChem CID130863182
Molecular FormulaC7H3BrF4O2
Molecular Weight275.00 g/mol
Exact Mass273.93
IUPAC Name5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
SMILESOc1cc(Br)c(OC(F)(F)F)cc1F
InChIInChI=1S/C7H3BrF4O2/c8-3-1-5(13)4(9)2-6(3)14-7(10,11)12/h1-2,13H
InChIKeyAISTYJCKDWVORG-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.00
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
1-[5-bromo-2-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 131629056
5-bromo-2-fluoro-4-(fluoromethoxy)phenol
CID 130893346
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
1-[2,5-dibromo-4-(trifluoromethoxy)phenyl]ethanone
CID 171005603
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015
2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
CID 130094144
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
methyl 2,4-dibromo-5-(trifluoromethoxy)benzoate
CID 18925647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol?
The IUPAC name of 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol (CID 130863182) is 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol?
The canonical SMILES for 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol is Oc1cc(Br)c(OC(F)(F)F)cc1F.
What is the InChIKey of 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol?
The InChIKey is AISTYJCKDWVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O2/c8-3-1-5(13)4(9)2-6(3)14-7(10,11)12/h1-2,13H.
What are the key properties of 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol?
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol has a molecular weight of 275.00 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 130863182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).