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

C7H3BrClF3O — CID 125116006

IUPAC3-bromo-2-chloro-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)cc(Br)c1Cl
InChIInChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H
InChIKeyFVGMEXJBBKYUQP-UHFFFAOYSA-N
MW275.45 g/mol
LogP3.83
Rot. Bonds

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

3-bromo-2-chloro-5-(trifluoromethyl)phenol (PubChem CID 125116006) has the molecular formula C7H3BrClF3O and a molecular weight of 275.45 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(trifluoromethyl)phenol
PubChem CID125116006
Molecular FormulaC7H3BrClF3O
Molecular Weight275.45 g/mol
Exact Mass273.90
IUPAC Name3-bromo-2-chloro-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)cc(Br)c1Cl
InChIInChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H
InChIKeyFVGMEXJBBKYUQP-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-bromo-2-chloro-5-(trifluoromethyl)phenol (CID 125116006) is 3-bromo-2-chloro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-bromo-2-chloro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-bromo-2-chloro-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-5-(trifluoromethyl)phenol?
The InChIKey is FVGMEXJBBKYUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H.
What are the key properties of 3-bromo-2-chloro-5-(trifluoromethyl)phenol?
3-bromo-2-chloro-5-(trifluoromethyl)phenol has a molecular weight of 275.45 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 125116006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).