1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene

C8H5BrClF3O — CID 156587176

IUPAC1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1cccc(Br)c1Cl
InChIInChI=1S/C8H5BrClF3O/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13/h1-3H,4H2
InChIKeyQLCXNGPVJALBSV-UHFFFAOYSA-N
MW289.48 g/mol
LogP4.04
Rot. Bonds2

About 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene

1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene (PubChem CID 156587176) has the molecular formula C8H5BrClF3O and a molecular weight of 289.48 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
PubChem CID156587176
Molecular FormulaC8H5BrClF3O
Molecular Weight289.48 g/mol
Exact Mass287.92
IUPAC Name1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1cccc(Br)c1Cl
InChIInChI=1S/C8H5BrClF3O/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13/h1-3H,4H2
InChIKeyQLCXNGPVJALBSV-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-chloro-3-(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

1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
CID 156587175
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
2-bromo-8-(2,2,2-trifluoroethoxy)quinoline
CID 102941206
1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene
CID 95757097
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
1-chloro-2-nitro-3-(2,2,2-trifluoroethoxy)benzene
CID 104835265
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 59803842
4-bromo-3-(2,2,2-trifluoroethoxy)aniline
CID 99770357
1-[[2,3-bis(2,2,2-trifluoroethoxy)phenyl]disulfanyl]-2,3-bis(2,2,2-trifluoroethoxy)benzene
CID 87534092

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene (CID 156587176) is 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is QLCXNGPVJALBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3O/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13/h1-3H,4H2.
What are the key properties of 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene?
1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 289.48 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 156587176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).