1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one

C11H13BrFNO — CID 116562639

IUPAC1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1cccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c1-2-14-7-9(15)6-8-4-3-5-10(13)11(8)12/h3-5,14H,2,6-7H2,1H3
InChIKeyHOGQYMAZOWNJGP-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.31
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one

1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one (PubChem CID 116562639) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
PubChem CID116562639
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1cccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c1-2-14-7-9(15)6-8-4-3-5-10(13)11(8)12/h3-5,14H,2,6-7H2,1H3
InChIKeyHOGQYMAZOWNJGP-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(ethylamino)propan-2-one
CID 116562504
1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559142
5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one
CID 116553362
1-(2-bromo-3-fluorophenyl)pent-4-en-2-one
CID 116659410
(E)-1-(2-bromo-3-fluorophenyl)hex-3-en-2-one
CID 103454108
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
1-(2-bromo-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115789993
1-(2-bromo-3-fluorophenyl)-5-methoxy-4-methylpentan-2-one
CID 105121364
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
1-(2-bromo-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473771
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588148

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one (CID 116562639) is 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one is CCNCC(=O)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one?
The InChIKey is HOGQYMAZOWNJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-2-14-7-9(15)6-8-4-3-5-10(13)11(8)12/h3-5,14H,2,6-7H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one?
1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one has a molecular weight of 274.13 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one is sourced from PubChem (CID 116562639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).