1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one

C10H7Br2F3O — CID 134616516

IUPAC1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(CBr)Cc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7Br2F3O/c11-5-9(16)3-6-1-7(10(13,14)15)4-8(12)2-6/h1-2,4H,3,5H2
InChIKeyIYIAANKXQPZFKB-UHFFFAOYSA-N
MW359.97 g/mol
LogP3.97
Rot. Bonds3

About 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one

1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 134616516) has the molecular formula C10H7Br2F3O and a molecular weight of 359.97 g/mol. Its IUPAC name is 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one
PubChem CID134616516
Molecular FormulaC10H7Br2F3O
Molecular Weight359.97 g/mol
Exact Mass357.88
IUPAC Name1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(CBr)Cc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7Br2F3O/c11-5-9(16)3-6-1-7(10(13,14)15)4-8(12)2-6/h1-2,4H,3,5H2
InChIKeyIYIAANKXQPZFKB-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 53.97
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-bromo-3-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616458
1-bromo-3-[3-(trifluoromethyl)-5-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 134616485
1-bromo-3-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616428
3-[3-bromo-5-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738241
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentan-3-one
CID 65489263
3-bromo-4-[3-bromo-5-(trifluoromethyl)phenyl]butan-2-one
CID 65489655
1-bromo-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-2-one
CID 134616187
methyl 2-[3-bromo-5-(3-bromo-2-oxopropyl)phenyl]acetate
CID 134634942
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
methyl 3-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloropropanoate
CID 83197622
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one (CID 134616516) is 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one is O=C(CBr)Cc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is IYIAANKXQPZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F3O/c11-5-9(16)3-6-1-7(10(13,14)15)4-8(12)2-6/h1-2,4H,3,5H2.
What are the key properties of 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one?
1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 359.97 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 134616516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).