1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone

C9H5BrClF3O2 — CID 171032832

IUPAC1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(OC(F)(F)F)c(Cl)cc1Br
InChIInChI=1S/C9H5BrClF3O2/c1-4(15)5-2-8(16-9(12,13)14)7(11)3-6(5)10/h2-3H,1H3
InChIKeyRDRHFHHGKLUQOP-UHFFFAOYSA-N
MW317.49 g/mol
LogP4.20
Rot. Bonds2

About 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone

1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone (PubChem CID 171032832) has the molecular formula C9H5BrClF3O2 and a molecular weight of 317.49 g/mol. Its IUPAC name is 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
PubChem CID171032832
Molecular FormulaC9H5BrClF3O2
Molecular Weight317.49 g/mol
Exact Mass315.91
IUPAC Name1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(OC(F)(F)F)c(Cl)cc1Br
InChIInChI=1S/C9H5BrClF3O2/c1-4(15)5-2-8(16-9(12,13)14)7(11)3-6(5)10/h2-3H,1H3
InChIKeyRDRHFHHGKLUQOP-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,5-dibromo-4-(trifluoromethoxy)phenyl]ethanone
CID 171005603
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
1-[2-bromo-5-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171000680
4-bromo-2-chloro-5-(trifluoromethoxy)benzoic acid
CID 86682805
1-[5-chloro-4-methyl-2-(trifluoromethoxy)phenyl]ethanone
CID 171009846
1-[5-bromo-2-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 131629056
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054
methyl 2,4-dibromo-5-(trifluoromethoxy)benzoate
CID 18925647

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone (CID 171032832) is 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1cc(OC(F)(F)F)c(Cl)cc1Br.
What is the InChIKey of 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is RDRHFHHGKLUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClF3O2/c1-4(15)5-2-8(16-9(12,13)14)7(11)3-6(5)10/h2-3H,1H3.
What are the key properties of 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone?
1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 317.49 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 171032832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).