5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one

C11H13BrFNO — CID 116553362

IUPAC5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one
SMILESNCCCC(=O)Cc1cccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c12-11-8(3-1-5-10(11)13)7-9(15)4-2-6-14/h1,3,5H,2,4,6-7,14H2
InChIKeyTVPRVHSYHGVGNT-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.44
Rot. Bonds5

About 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one

5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one (PubChem CID 116553362) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one
PubChem CID116553362
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one
SMILESNCCCC(=O)Cc1cccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c12-11-8(3-1-5-10(11)13)7-9(15)4-2-6-14/h1,3,5H,2,4,6-7,14H2
InChIKeyTVPRVHSYHGVGNT-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-(2,6-difluorophenyl)hexan-2-one
CID 114935403
1-(2-bromo-3-fluorophenyl)pent-4-en-2-one
CID 116659410
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
CID 116562639
1-(2-bromo-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115789993
3-amino-1-(2-bromo-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611544
N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115319274
1-[1-(aminomethyl)cyclobutyl]-2-(2-bromo-3-fluorophenyl)ethanone
CID 116600438
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559142
1-(2-bromo-3-fluorophenyl)-5-methoxy-4-methylpentan-2-one
CID 105121364

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one?
The IUPAC name of 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one (CID 116553362) is 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one is NCCCC(=O)Cc1cccc(F)c1Br.
What is the InChIKey of 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one?
The InChIKey is TVPRVHSYHGVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-11-8(3-1-5-10(11)13)7-9(15)4-2-6-14/h1,3,5H,2,4,6-7,14H2.
What are the key properties of 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one?
5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one has a molecular weight of 274.13 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one is sourced from PubChem (CID 116553362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).