3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one

C12H12BrFO2 — CID 103455829

IUPAC3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
SMILESO=C(Cc1cc(F)cc(Br)c1)C(O)C1CC1
InChIInChI=1S/C12H12BrFO2/c13-9-3-7(4-10(14)6-9)5-11(15)12(16)8-1-2-8/h3-4,6,8,12,16H,1-2,5H2
InChIKeyOSYHWQBACYYJHY-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.47
Rot. Bonds4

About 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one

3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one (PubChem CID 103455829) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
PubChem CID103455829
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
SMILESO=C(Cc1cc(F)cc(Br)c1)C(O)C1CC1
InChIInChI=1S/C12H12BrFO2/c13-9-3-7(4-10(14)6-9)5-11(15)12(16)8-1-2-8/h3-4,6,8,12,16H,1-2,5H2
InChIKeyOSYHWQBACYYJHY-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 115786828
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 106266325
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 103455718
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one (CID 103455829) is 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one is O=C(Cc1cc(F)cc(Br)c1)C(O)C1CC1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
The InChIKey is OSYHWQBACYYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-9-3-7(4-10(14)6-9)5-11(15)12(16)8-1-2-8/h3-4,6,8,12,16H,1-2,5H2.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one has a molecular weight of 287.13 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one is sourced from PubChem (CID 103455829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).