2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one

C12H11Br2FO — CID 65436242

IUPAC2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H11Br2FO/c13-9-4-1-7(6-11(9)15)5-10(14)12(16)8-2-3-8/h1,4,6,8,10H,2-3,5H2
InChIKeyDDAHUHQKWLVWIK-UHFFFAOYSA-N
MW350.03 g/mol
LogP3.87
Rot. Bonds4

About 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one

2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one (PubChem CID 65436242) has the molecular formula C12H11Br2FO and a molecular weight of 350.03 g/mol. Its IUPAC name is 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one
PubChem CID65436242
Molecular FormulaC12H11Br2FO
Molecular Weight350.03 g/mol
Exact Mass347.92
IUPAC Name2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H11Br2FO/c13-9-4-1-7(6-11(9)15)5-10(14)12(16)8-2-3-8/h1,4,6,8,10H,2-3,5H2
InChIKeyDDAHUHQKWLVWIK-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 53.87
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

3-bromo-4-(4-bromo-3-fluorophenyl)butan-2-one
CID 65436244
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
CID 62395713
2-bromo-1-(4-bromo-3-fluorophenyl)hexan-3-one
CID 65436247
2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
CID 81274630
2-bromo-1-cyclopropyl-3-(4-methoxy-3-methylphenyl)propan-1-one
CID 62394840
3-(1,3-benzothiazol-6-yl)-2-bromo-1-cyclopropylpropan-1-one
CID 107801506
N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86868025
2-bromo-1-cyclopropyl-3-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 113336755
2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
CID 62394988
(3S)-1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 124596596
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one?
The IUPAC name of 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one (CID 65436242) is 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one is O=C(C(Br)Cc1ccc(Br)c(F)c1)C1CC1.
What is the InChIKey of 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one?
The InChIKey is DDAHUHQKWLVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2FO/c13-9-4-1-7(6-11(9)15)5-10(14)12(16)8-2-3-8/h1,4,6,8,10H,2-3,5H2.
What are the key properties of 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one?
2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one has a molecular weight of 350.03 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 65436242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).