4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane

C10H12BrF3O2 — CID 144770894

IUPAC4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
SMILESCC.Cc1cc(Br)cc(OC(F)(F)F)c1O
InChIInChI=1S/C8H6BrF3O2.C2H6/c1-4-2-5(9)3-6(7(4)13)14-8(10,11)12;1-2/h2-3,13H,1H3;1-2H3
InChIKeyBKOABACTPIJWTM-UHFFFAOYSA-N
MW301.10 g/mol
LogP4.39
Rot. Bonds1

About 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane

4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane (PubChem CID 144770894) has the molecular formula C10H12BrF3O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane.

Molecular Properties

Compound Name4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
PubChem CID144770894
Molecular FormulaC10H12BrF3O2
Molecular Weight301.10 g/mol
Exact Mass300.00
IUPAC Name4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
SMILESCC.Cc1cc(Br)cc(OC(F)(F)F)c1O
InChIInChI=1S/C8H6BrF3O2.C2H6/c1-4-2-5(9)3-6(7(4)13)14-8(10,11)12;1-2/h2-3,13H,1H3;1-2H3
InChIKeyBKOABACTPIJWTM-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane?
The IUPAC name of 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane (CID 144770894) is 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane.
What is the SMILES notation for 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane?
The canonical SMILES for 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane is CC.Cc1cc(Br)cc(OC(F)(F)F)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane?
The InChIKey is BKOABACTPIJWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O2.C2H6/c1-4-2-5(9)3-6(7(4)13)14-8(10,11)12;1-2/h2-3,13H,1H3;1-2H3.
What are the key properties of 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane?
4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane has a molecular weight of 301.10 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane is sourced from PubChem (CID 144770894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).