2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one

C10H10BrFO — CID 13113175

IUPAC2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10BrFO/c1-10(2,11)9(13)7-3-5-8(12)6-4-7/h3-6H,1-2H3
InChIKeyZISFVSBQBJYRDB-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.18
Rot. Bonds2

About 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one

2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 13113175) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID13113175
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10BrFO/c1-10(2,11)9(13)7-3-5-8(12)6-4-7/h3-6H,1-2H3
InChIKeyZISFVSBQBJYRDB-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.18
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

1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one
CID 69226000
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one
CID 19879482
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
2-bromo-2-methyl-1-(4-methylsulfinylphenyl)propan-1-one
CID 54102066
2-tert-butylsulfinyl-1-(4-fluorophenyl)propan-1-one
CID 64638472
2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
CID 116592648
chloromethane;4-fluorobenzamide
CID 158476805
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
CID 10220288
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one (CID 13113175) is 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)(Br)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is ZISFVSBQBJYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-10(2,11)9(13)7-3-5-8(12)6-4-7/h3-6H,1-2H3.
What are the key properties of 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one?
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 245.09 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 13113175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).