2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone

C11H9BrF2O — CID 106265982

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)C1CC1
InChIInChI=1S/C11H9BrF2O/c12-8-3-4-9(13)7(11(8)14)5-10(15)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyVNEVOBUDYFXYKT-UHFFFAOYSA-N
MW275.09 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone

2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone (PubChem CID 106265982) has the molecular formula C11H9BrF2O and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone
PubChem CID106265982
Molecular FormulaC11H9BrF2O
Molecular Weight275.09 g/mol
Exact Mass273.98
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)C1CC1
InChIInChI=1S/C11H9BrF2O/c12-8-3-4-9(13)7(11(8)14)5-10(15)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyVNEVOBUDYFXYKT-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-cyclobutylethanone
CID 106266083
2-(3-bromo-2,6-difluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanone
CID 106266107
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 106266115
1-(3-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 114166852
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylcyclopentyl)ethanone
CID 106266116
2-(3-bromo-2,6-difluorophenyl)-1-(1,1-dioxothian-2-yl)ethanone
CID 106267858
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 106266325
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455
2-(3-bromo-2,6-difluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 106266299
4-[(3-bromo-2,6-difluorophenyl)methoxy]cyclohexane-1-carboxylic acid
CID 106262887

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone (CID 106265982) is 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone is O=C(Cc1c(F)ccc(Br)c1F)C1CC1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone?
The InChIKey is VNEVOBUDYFXYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2O/c12-8-3-4-9(13)7(11(8)14)5-10(15)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone?
2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone has a molecular weight of 275.09 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 106265982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).