1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C11H11BrF3NO — CID 60892158

IUPAC1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)cc1)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-16(7-11(13,14)15)6-10(17)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyXHDIEKRTVOMDRU-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60892158) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60892158
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)cc1)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-16(7-11(13,14)15)6-10(17)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyXHDIEKRTVOMDRU-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892938
1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201029
1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865706
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
1-(4-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62611835
1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
CID 60650801
1-(4-bromophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butan-1-one
CID 79389968
2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide
CID 62922079
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60892158) is 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)c1ccc(Br)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is XHDIEKRTVOMDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-16(7-11(13,14)15)6-10(17)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 310.11 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60892158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).