1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone

C12H13BrFNO — CID 116598573

IUPAC1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H13BrFNO/c13-9-3-2-8(10(14)7-9)6-11(16)12(15)4-1-5-12/h2-3,7H,1,4-6,15H2
InChIKeyLRPRLLXBRVEXGM-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.58
Rot. Bonds3

About 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone

1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone (PubChem CID 116598573) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
PubChem CID116598573
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H13BrFNO/c13-9-3-2-8(10(14)7-9)6-11(16)12(15)4-1-5-12/h2-3,7H,1,4-6,15H2
InChIKeyLRPRLLXBRVEXGM-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
1-[1-(aminomethyl)cyclopentyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116601033
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049
2-(4-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79064667
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone
CID 116576510
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
1-(1-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272523
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
CID 116550631

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone (CID 116598573) is 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone is NC1(C(=O)Cc2ccc(Br)cc2F)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone?
The InChIKey is LRPRLLXBRVEXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-9-3-2-8(10(14)7-9)6-11(16)12(15)4-1-5-12/h2-3,7H,1,4-6,15H2.
What are the key properties of 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone?
1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone has a molecular weight of 286.14 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 116598573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).