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

C7H3BrF4O — CID 125116389

IUPAC5-bromo-2-fluoro-3-(trifluoromethyl)phenol
SMILESOc1cc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H3BrF4O/c8-3-1-4(7(10,11)12)6(9)5(13)2-3/h1-2,13H
InChIKeyOUHGZWFVMPQUMJ-UHFFFAOYSA-N
MW259.00 g/mol
LogP3.31
Rot. Bonds

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

5-bromo-2-fluoro-3-(trifluoromethyl)phenol (PubChem CID 125116389) has the molecular formula C7H3BrF4O and a molecular weight of 259.00 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(trifluoromethyl)phenol
PubChem CID125116389
Molecular FormulaC7H3BrF4O
Molecular Weight259.00 g/mol
Exact Mass257.93
IUPAC Name5-bromo-2-fluoro-3-(trifluoromethyl)phenol
SMILESOc1cc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H3BrF4O/c8-3-1-4(7(10,11)12)6(9)5(13)2-3/h1-2,13H
InChIKeyOUHGZWFVMPQUMJ-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

5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533788
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
5-(6-bromo-1H-indazol-3-yl)-2-fluoro-3-(trifluoromethyl)phenol
CID 163234813
4-fluoro-2,3,5-tris(trifluoromethyl)phenol
CID 177310984
2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
CID 160517438
1-bromo-2,3,4-trifluoro-5-(trifluoromethyl)benzene
CID 87725654
4-bromo-2,6-bis(trifluoromethyl)benzoyl chloride
CID 134618372
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(trifluoromethyl)phenol?
The IUPAC name of 5-bromo-2-fluoro-3-(trifluoromethyl)phenol (CID 125116389) is 5-bromo-2-fluoro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 5-bromo-2-fluoro-3-(trifluoromethyl)phenol?
The canonical SMILES for 5-bromo-2-fluoro-3-(trifluoromethyl)phenol is Oc1cc(Br)cc(C(F)(F)F)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(trifluoromethyl)phenol?
The InChIKey is OUHGZWFVMPQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O/c8-3-1-4(7(10,11)12)6(9)5(13)2-3/h1-2,13H.
What are the key properties of 5-bromo-2-fluoro-3-(trifluoromethyl)phenol?
5-bromo-2-fluoro-3-(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 5-bromo-2-fluoro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 125116389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).