2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide

C7H10F6N2O3 — CID 44769606

IUPAC2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O.C2HF3O2/c1-9-2-3-10-4(11)5(6,7)8;3-2(4,5)1(6)7/h9H,2-3H2,1H3,(H,10,11);(H,6,7)
InChIKeyTUSZNMPKBXTTBE-UHFFFAOYSA-N
MW284.16 g/mol
LogP0.52
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide

2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide (PubChem CID 44769606) has the molecular formula C7H10F6N2O3 and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
PubChem CID44769606
Molecular FormulaC7H10F6N2O3
Molecular Weight284.16 g/mol
Exact Mass284.06
IUPAC Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O.C2HF3O2/c1-9-2-3-10-4(11)5(6,7)8;3-2(4,5)1(6)7/h9H,2-3H2,1H3,(H,10,11);(H,6,7)
InChIKeyTUSZNMPKBXTTBE-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroacetic acid; 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388777
N-[2-(2,2-difluoroacetamido)ethyl]-2,2-difluoroacetamide
CID 2168339
N-(2-aminoethyl)prop-2-ynamide; trifluoroacetic acid
CID 132372470
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide; trifluoroacetic acid
CID 138039905
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
N,N-dimethyl-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21936835
2-amino-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 21936858
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077
N-(azetidin-3-yl)acetamide trifluoroacetate
CID 67008008
Piperazin-2-one 2,2,2-trifluoroacetate
CID 67358098
2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
CID 86698903
[(2,2,2-Trifluoro-ethylcarbamoyl)-methyl]-carbamic acid
CID 87223455

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide (CID 44769606) is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is TUSZNMPKBXTTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O.C2HF3O2/c1-9-2-3-10-4(11)5(6,7)8;3-2(4,5)1(6)7/h9H,2-3H2,1H3,(H,10,11);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide?
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 284.16 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 44769606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).