4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene

C12H14BrF3O2 — CID 155928749

IUPAC4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)COc1ccc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C12H14BrF3O2/c1-8(2)6-17-10-4-3-9(13)5-11(10)18-7-12(14,15)16/h3-5,8H,6-7H2,1-2H3
InChIKeyIGDRMQBZZURBGP-UHFFFAOYSA-N
MW327.14 g/mol
LogP4.43
Rot. Bonds5

About 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene

4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 155928749) has the molecular formula C12H14BrF3O2 and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID155928749
Molecular FormulaC12H14BrF3O2
Molecular Weight327.14 g/mol
Exact Mass326.01
IUPAC Name4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)COc1ccc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C12H14BrF3O2/c1-8(2)6-17-10-4-3-9(13)5-11(10)18-7-12(14,15)16/h3-5,8H,6-7H2,1-2H3
InChIKeyIGDRMQBZZURBGP-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
4-bromo-2-isocyano-1-(2,2,2-trifluoroethoxy)benzene
CID 58516372
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 106704814
[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
CID 7366809
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 62379554
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 78996570

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene (CID 155928749) is 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene is CC(C)COc1ccc(Br)cc1OCC(F)(F)F.
What is the InChIKey of 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is IGDRMQBZZURBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3O2/c1-8(2)6-17-10-4-3-9(13)5-11(10)18-7-12(14,15)16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene?
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 327.14 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 155928749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).