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

C15H12BrFO — CID 43438809

IUPAC3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
SMILESO=C(CCc1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C15H12BrFO/c16-13-8-6-11(14(17)10-13)7-9-15(18)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2
InChIKeyATNVKMAQABHBKI-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.40
Rot. Bonds4

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

3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one (PubChem CID 43438809) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
PubChem CID43438809
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
SMILESO=C(CCc1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C15H12BrFO/c16-13-8-6-11(14(17)10-13)7-9-15(18)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2
InChIKeyATNVKMAQABHBKI-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 43438813
[(E)-4-(4-bromo-2-fluorophenyl)-2-phenylbut-1-enyl] formate;(Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoic acid
CID 159174587
3-(2-bromophenyl)-1-phenylpropan-1-one
CID 11358208
3-bromo-N-[3-[3-(4-bromo-2-fluorophenyl)propanoylamino]propyl]benzamide
CID 60622420
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
3-(4-bromo-2-fluorophenyl)-N-prop-2-ynylpropanamide
CID 47468902
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
4-(2,6-difluorophenyl)-1-phenylbutan-1-one
CID 114934397
3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
CID 119327413

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one (CID 43438809) is 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one is O=C(CCc1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one?
The InChIKey is ATNVKMAQABHBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c16-13-8-6-11(14(17)10-13)7-9-15(18)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one?
3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one has a molecular weight of 307.16 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 43438809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).