1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene

C10H10BrF3O — CID 67763209

IUPAC1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(CCBr)cc1
InChIInChI=1S/C10H10BrF3O/c11-6-5-8-1-3-9(4-2-8)15-7-10(12,13)14/h1-4H,5-7H2
InChIKeyCXZYPIRTGINUDM-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene

1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 67763209) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID67763209
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(CCBr)cc1
InChIInChI=1S/C10H10BrF3O/c11-6-5-8-1-3-9(4-2-8)15-7-10(12,13)14/h1-4H,5-7H2
InChIKeyCXZYPIRTGINUDM-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene (CID 67763209) is 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccc(CCBr)cc1.
What is the InChIKey of 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is CXZYPIRTGINUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c11-6-5-8-1-3-9(4-2-8)15-7-10(12,13)14/h1-4H,5-7H2.
What are the key properties of 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene?
1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 283.09 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 67763209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).