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

C11H11BrFNO — CID 116576510

IUPAC1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C11H11BrFNO/c12-9-6-8(13)2-1-7(9)5-10(15)11(14)3-4-11/h1-2,6H,3-5,14H2
InChIKeyRPARGDRMIOSSLE-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.19
Rot. Bonds3

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

1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone (PubChem CID 116576510) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone
PubChem CID116576510
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone
SMILESNC1(C(=O)Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C11H11BrFNO/c12-9-6-8(13)2-1-7(9)5-10(15)11(14)3-4-11/h1-2,6H,3-5,14H2
InChIKeyRPARGDRMIOSSLE-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.19
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)-4-methylcyclohexyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116604035
1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116598573
1-(4-aminooxan-4-yl)-2-(2,5-difluorophenyl)ethanone
CID 116604564
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446388
cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate
CID 86801392
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
1-(3-aminopyrrolidin-1-yl)-2-(2-bromo-4-fluorophenyl)ethanone;hydrochloride
CID 170456758
2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 62620275
1-(1-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272523

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone (CID 116576510) is 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone is NC1(C(=O)Cc2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone?
The InChIKey is RPARGDRMIOSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-9-6-8(13)2-1-7(9)5-10(15)11(14)3-4-11/h1-2,6H,3-5,14H2.
What are the key properties of 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone?
1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone has a molecular weight of 272.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone is sourced from PubChem (CID 116576510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).