1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

C12H14BrF2NO2 — CID 107481236

IUPAC1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF2NO2/c13-10-3-1-2-9(6-10)11(18)7-16(4-5-17)8-12(14)15/h1-3,6,12,17H,4-5,7-8H2
InChIKeyLXRLNHSKFOQWSK-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.19
Rot. Bonds7

About 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481236) has the molecular formula C12H14BrF2NO2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481236
Molecular FormulaC12H14BrF2NO2
Molecular Weight322.15 g/mol
Exact Mass321.02
IUPAC Name1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF2NO2/c13-10-3-1-2-9(6-10)11(18)7-16(4-5-17)8-12(14)15/h1-3,6,12,17H,4-5,7-8H2
InChIKeyLXRLNHSKFOQWSK-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanone
CID 62052225
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329874
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481222
1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999791
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
1-(3-bromophenyl)-2,2-difluoroethanone
CID 86650253
1-(3-bromophenyl)-2-iodoethanone
CID 22380807

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481236) is 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is LXRLNHSKFOQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO2/c13-10-3-1-2-9(6-10)11(18)7-16(4-5-17)8-12(14)15/h1-3,6,12,17H,4-5,7-8H2.
What are the key properties of 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 322.15 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).