1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one

C11H12BrFO — CID 24724073

IUPAC1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
InChIKeyDIKWOOMIVJWJTC-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.82
Rot. Bonds1

About 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one

1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one (PubChem CID 24724073) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
PubChem CID24724073
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
InChIKeyDIKWOOMIVJWJTC-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-bromo-3-fluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010846
2-[4-(2,2-dimethylpropanoyl)-2-fluorophenyl]acetic acid
CID 54413653
1-[4-[[bis[[4-(2,2-dimethylpropanoyl)-2-fluorophenyl]methyl]amino]methyl]-3-fluorophenyl]-2,2-dimethylpropan-1-one
CID 54486596
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
1-(4-bromo-3-fluorophenyl)-2-ethylbutan-1-one
CID 115785666
1-(4-bromo-3-fluorophenyl)-3-methylbutan-1-one
CID 114962413
1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-one
CID 115788058
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
4-[(4-bromo-3-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001744
tert-butyl (2R)-2-[(4-bromo-3-fluorobenzoyl)amino]propanoate
CID 81003599

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one (CID 24724073) is 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one?
The InChIKey is DIKWOOMIVJWJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one?
1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one has a molecular weight of 259.12 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 24724073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).