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

C14H10BrCl2F — CID 63544049

IUPAC4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
SMILESFc1ccccc1CC(Cl)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrCl2F/c15-10-5-6-11(13(17)8-10)12(16)7-9-3-1-2-4-14(9)18/h1-6,8,12H,7H2
InChIKeyDZGIYPVJRPBCKR-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.76
Rot. Bonds3

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

4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene (PubChem CID 63544049) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
PubChem CID63544049
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
SMILESFc1ccccc1CC(Cl)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrCl2F/c15-10-5-6-11(13(17)8-10)12(16)7-9-3-1-2-4-14(9)18/h1-6,8,12H,7H2
InChIKeyDZGIYPVJRPBCKR-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.04
LogP ≤ 55.76
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

4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
CID 55224259
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 63543034
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene (CID 63544049) is 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene is Fc1ccccc1CC(Cl)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene?
The InChIKey is DZGIYPVJRPBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c15-10-5-6-11(13(17)8-10)12(16)7-9-3-1-2-4-14(9)18/h1-6,8,12H,7H2.
What are the key properties of 4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene?
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene has a molecular weight of 348.04 g/mol, XLogP of 5.76, 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-(2-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 63544049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).