1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene

C10H8BrCl2F3O — CID 103211043

IUPAC1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene
SMILESFC(F)(F)COCC(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8BrCl2F3O/c11-8(4-17-5-10(14,15)16)7-2-1-6(12)3-9(7)13/h1-3,8H,4-5H2
InChIKeyXIVQIQIBZNPBGU-UHFFFAOYSA-N
MW351.98 g/mol
LogP5.01
Rot. Bonds4

About 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene

1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene (PubChem CID 103211043) has the molecular formula C10H8BrCl2F3O and a molecular weight of 351.98 g/mol. Its IUPAC name is 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene
PubChem CID103211043
Molecular FormulaC10H8BrCl2F3O
Molecular Weight351.98 g/mol
Exact Mass349.91
IUPAC Name1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene
SMILESFC(F)(F)COCC(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8BrCl2F3O/c11-8(4-17-5-10(14,15)16)7-2-1-6(12)3-9(7)13/h1-3,8H,4-5H2
InChIKeyXIVQIQIBZNPBGU-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.98
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene 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-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 103210534
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
2-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-4-chloro-1-methoxybenzene
CID 103211396
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
CID 79660738
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55032016
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207983

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene (CID 103211043) is 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene is FC(F)(F)COCC(Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene?
The InChIKey is XIVQIQIBZNPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2F3O/c11-8(4-17-5-10(14,15)16)7-2-1-6(12)3-9(7)13/h1-3,8H,4-5H2.
What are the key properties of 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene?
1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene has a molecular weight of 351.98 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 103211043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).