4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene

C15H10BrCl2F3 — CID 63543034

IUPAC4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccc(CC(Cl)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H10BrCl2F3/c16-11-5-6-12(14(18)8-11)13(17)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2
InChIKeyUSVPPGAJSCKFOC-UHFFFAOYSA-N
MW398.05 g/mol
LogP6.64
Rot. Bonds3

About 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene

4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 63543034) has the molecular formula C15H10BrCl2F3 and a molecular weight of 398.05 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID63543034
Molecular FormulaC15H10BrCl2F3
Molecular Weight398.05 g/mol
Exact Mass395.93
IUPAC Name4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccc(CC(Cl)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H10BrCl2F3/c16-11-5-6-12(14(18)8-11)13(17)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2
InChIKeyUSVPPGAJSCKFOC-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.05
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63543380
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
CID 63435106
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-3-methylbenzene
CID 81480727
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582
3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylfuran
CID 63543202
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
CID 63531749
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene (CID 63543034) is 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene is FC(F)(F)c1ccc(CC(Cl)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is USVPPGAJSCKFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2F3/c16-11-5-6-12(14(18)8-11)13(17)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2.
What are the key properties of 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene has a molecular weight of 398.05 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 63543034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).