3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one

C10H11BrFNO — CID 106647112

IUPAC3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
SMILESCC(N)CC(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H11BrFNO/c1-6(13)5-9(14)7-3-2-4-8(11)10(7)12/h2-4,6H,5,13H2,1H3
InChIKeyBDNIVXDBPLGEJF-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one

3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one (PubChem CID 106647112) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
PubChem CID106647112
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
SMILESCC(N)CC(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H11BrFNO/c1-6(13)5-9(14)7-3-2-4-8(11)10(7)12/h2-4,6H,5,13H2,1H3
InChIKeyBDNIVXDBPLGEJF-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-one
CID 106647287
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317
2-amino-3-[(3R)-3-aminobutanoyl]benzoic acid
CID 23405622
1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
2-(3-bromo-2-fluorobenzoyl)-4-methylpentanenitrile
CID 107955977
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one?
The IUPAC name of 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one (CID 106647112) is 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one.
What is the SMILES notation for 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one?
The canonical SMILES for 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one is CC(N)CC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one?
The InChIKey is BDNIVXDBPLGEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6(13)5-9(14)7-3-2-4-8(11)10(7)12/h2-4,6H,5,13H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one?
3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one has a molecular weight of 260.11 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one is sourced from PubChem (CID 106647112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).