2-bromo-3-fluoro-5-(trifluoromethyl)phenol

C7H3BrF4O — CID 130923632

IUPAC2-bromo-3-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)cc(F)c1Br
InChIInChI=1S/C7H3BrF4O/c8-6-4(9)1-3(2-5(6)13)7(10,11)12/h1-2,13H
InChIKeyOZPHFDPIHKONCB-UHFFFAOYSA-N
MW259.00 g/mol
LogP3.31
Rot. Bonds

About 2-bromo-3-fluoro-5-(trifluoromethyl)phenol

2-bromo-3-fluoro-5-(trifluoromethyl)phenol (PubChem CID 130923632) has the molecular formula C7H3BrF4O and a molecular weight of 259.00 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-(trifluoromethyl)phenol
PubChem CID130923632
Molecular FormulaC7H3BrF4O
Molecular Weight259.00 g/mol
Exact Mass257.93
IUPAC Name2-bromo-3-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)cc(F)c1Br
InChIInChI=1S/C7H3BrF4O/c8-6-4(9)1-3(2-5(6)13)7(10,11)12/h1-2,13H
InChIKeyOZPHFDPIHKONCB-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.00
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
(E)-3-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 171000123
2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
CID 168526241
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
2,3-diamino-5-(trifluoromethyl)phenol
CID 142974486
bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene
CID 11406632
2-sulfanyl-3,5-bis(trifluoromethyl)phenol
CID 119023054
4,5-dibromo-3-fluorobenzene-1,2-diol
CID 142181565
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 2-bromo-3-fluoro-5-(trifluoromethyl)phenol (CID 130923632) is 2-bromo-3-fluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-bromo-3-fluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-bromo-3-fluoro-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)cc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-5-(trifluoromethyl)phenol?
The InChIKey is OZPHFDPIHKONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O/c8-6-4(9)1-3(2-5(6)13)7(10,11)12/h1-2,13H.
What are the key properties of 2-bromo-3-fluoro-5-(trifluoromethyl)phenol?
2-bromo-3-fluoro-5-(trifluoromethyl)phenol has a molecular weight of 259.00 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 130923632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).