2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide

C11H17F6N3O2 — CID 91721400

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
SMILESCN(CCN(C)C(=O)C(F)(F)F)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H17F6N3O2/c1-18(4-6-19(2)8(21)10(12,13)14)5-7-20(3)9(22)11(15,16)17/h4-7H2,1-3H3
InChIKeyJMCMFBYTZLGMKS-UHFFFAOYSA-N
MW337.26 g/mol
LogP0.96
Rot. Bonds6

About 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide (PubChem CID 91721400) has the molecular formula C11H17F6N3O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
PubChem CID91721400
Molecular FormulaC11H17F6N3O2
Molecular Weight337.26 g/mol
Exact Mass337.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
SMILESCN(CCN(C)C(=O)C(F)(F)F)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H17F6N3O2/c1-18(4-6-19(2)8(21)10(12,13)14)5-7-20(3)9(22)11(15,16)17/h4-7H2,1-3H3
InChIKeyJMCMFBYTZLGMKS-UHFFFAOYSA-N
XLogP0.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide with MolForge

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Related Compounds

1,4-Bis(trifluoroacetyl)piperazine
CID 239003
1-[4-(2,2-Difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone
CID 787902
1-(4-Ethyl-1-piperazinyl)-2,2,2-trifluoroethanone
CID 4079270
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2,2,2-trifluoroethanone
CID 13994781
N,N'-(Ethane-1,2-diyl)bis(2,2,2-trifluoro-N-methylacetamide)
CID 13720120
N,N'-(Ethane-1,2-diyl)bis(N-methylacetamide)
CID 12807949
1-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 64201276
N,N'-{ethane-1,2-diylbis[(methylimino)ethane-2,1-diyl]}bis(2,2,2-trifluoro-N-methylacetamide)
CID 91721401
1-(4-Acetylpiperazin-1-yl)-2,2,2-trifluoroethanone
CID 14068994
4,8,12-Tris(trifluoroacetyl)-4,8,12-triazapentadecane
CID 19819307
2,2,2-Trifluoro-1-[4-methyl-7-(2,2,2-trifluoroacetyl)-1,4,7-triazonan-1-yl]ethanone
CID 21130156
N-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl]-N-[2-[2-[bis(2,2,2-trifluoroacetyl)amino]ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 23295533

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide (CID 91721400) is 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide is CN(CCN(C)C(=O)C(F)(F)F)CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide?
The InChIKey is JMCMFBYTZLGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N3O2/c1-18(4-6-19(2)8(21)10(12,13)14)5-7-20(3)9(22)11(15,16)17/h4-7H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide has a molecular weight of 337.26 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 91721400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).