2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one

C12H10Br2F2O — CID 62395713

IUPAC2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1c(F)cc(F)cc1Br)C1CC1
InChIInChI=1S/C12H10Br2F2O/c13-9-3-7(15)4-11(16)8(9)5-10(14)12(17)6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyMHHDPOKXPINDFK-UHFFFAOYSA-N
MW368.02 g/mol
LogP4.01
Rot. Bonds4

About 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one

2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one (PubChem CID 62395713) has the molecular formula C12H10Br2F2O and a molecular weight of 368.02 g/mol. Its IUPAC name is 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
PubChem CID62395713
Molecular FormulaC12H10Br2F2O
Molecular Weight368.02 g/mol
Exact Mass365.91
IUPAC Name2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1c(F)cc(F)cc1Br)C1CC1
InChIInChI=1S/C12H10Br2F2O/c13-9-3-7(15)4-11(16)8(9)5-10(14)12(17)6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyMHHDPOKXPINDFK-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.02
LogP ≤ 54.01
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

2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
CID 62395711
2-bromo-3-(4-bromo-3-fluorophenyl)-1-cyclopropylpropan-1-one
CID 65436242
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
2-bromo-1-cyclopropyl-3-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 113336755
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948
2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
CID 81274630
2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
CID 62394988
2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
CID 107616981
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
CID 107616979
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one?
The IUPAC name of 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one (CID 62395713) is 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one is O=C(C(Br)Cc1c(F)cc(F)cc1Br)C1CC1.
What is the InChIKey of 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one?
The InChIKey is MHHDPOKXPINDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2F2O/c13-9-3-7(15)4-11(16)8(9)5-10(14)12(17)6-1-2-6/h3-4,6,10H,1-2,5H2.
What are the key properties of 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one?
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one has a molecular weight of 368.02 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 62395713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).