1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene

C10H10BrF3O2 — CID 69380346

IUPAC1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
SMILESCC(C)(Br)Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O2/c1-9(2,11)15-7-4-3-5-8(6-7)16-10(12,13)14/h3-6H,1-2H3
InChIKeyNNAFXZBCGNZXAR-UHFFFAOYSA-N
MW299.09 g/mol
LogP4.09
Rot. Bonds3

About 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene

1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene (PubChem CID 69380346) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
PubChem CID69380346
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
SMILESCC(C)(Br)Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10BrF3O2/c1-9(2,11)15-7-4-3-5-8(6-7)16-10(12,13)14/h3-6H,1-2H3
InChIKeyNNAFXZBCGNZXAR-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
ethane;3-(trifluoromethoxy)phenol
CID 143201974
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
[3-(trifluoromethoxy)phenyl] methanesulfonate
CID 18424473
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
methyl 3-(2-bromopropan-2-yloxy)benzoate
CID 70204795
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene (CID 69380346) is 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene is CC(C)(Br)Oc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene?
The InChIKey is NNAFXZBCGNZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-9(2,11)15-7-4-3-5-8(6-7)16-10(12,13)14/h3-6H,1-2H3.
What are the key properties of 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene?
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene has a molecular weight of 299.09 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 69380346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).