1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone

C15H11BrClFO — CID 104853123

IUPAC1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
SMILESCc1cc(Br)cc(C(=O)C(Cl)c2ccc(F)cc2)c1
InChIInChI=1S/C15H11BrClFO/c1-9-6-11(8-12(16)7-9)15(19)14(17)10-2-4-13(18)5-3-10/h2-8,14H,1H3
InChIKeyJRXSRBFAZNUVEY-UHFFFAOYSA-N
MW341.61 g/mol
LogP5.06
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone

1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone (PubChem CID 104853123) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
PubChem CID104853123
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
SMILESCc1cc(Br)cc(C(=O)C(Cl)c2ccc(F)cc2)c1
InChIInChI=1S/C15H11BrClFO/c1-9-6-11(8-12(16)7-9)15(19)14(17)10-2-4-13(18)5-3-10/h2-8,14H,1H3
InChIKeyJRXSRBFAZNUVEY-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81471585
1-(4-bromophenyl)-2-chloro-2-(4-methylphenyl)ethanone
CID 21408735
3-(3-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 104853043
1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81242883
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
CID 81242733
3-(3-bromo-5-methylphenyl)-3-oxo-2-phenylpropanenitrile
CID 104853026
3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone (CID 104853123) is 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone is Cc1cc(Br)cc(C(=O)C(Cl)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
The InChIKey is JRXSRBFAZNUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c1-9-6-11(8-12(16)7-9)15(19)14(17)10-2-4-13(18)5-3-10/h2-8,14H,1H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone?
1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone has a molecular weight of 341.61 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 104853123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).