2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide

C8H11F6N3O2 — CID 22561436

IUPAC2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)NC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H11F6N3O2/c1-3(16-5(18)7(9,10)11)15-4(2)17-6(19)8(12,13)14/h3-4,15H,1-2H3,(H,16,18)(H,17,19)
InChIKeyRFPNIBHNLBZJAC-UHFFFAOYSA-N
MW295.18 g/mol
LogP0.62
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide

2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide (PubChem CID 22561436) has the molecular formula C8H11F6N3O2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
PubChem CID22561436
Molecular FormulaC8H11F6N3O2
Molecular Weight295.18 g/mol
Exact Mass295.08
IUPAC Name2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)NC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H11F6N3O2/c1-3(16-5(18)7(9,10)11)15-4(2)17-6(19)8(12,13)14/h3-4,15H,1-2H3,(H,16,18)(H,17,19)
InChIKeyRFPNIBHNLBZJAC-UHFFFAOYSA-N
XLogP0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonic acid;hydrochloride
CID 88792540
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
CID 11564832
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
CID 130971950
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide (CID 22561436) is 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide is CC(NC(=O)C(F)(F)F)NC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide?
The InChIKey is RFPNIBHNLBZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N3O2/c1-3(16-5(18)7(9,10)11)15-4(2)17-6(19)8(12,13)14/h3-4,15H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide?
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide has a molecular weight of 295.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide is sourced from PubChem (CID 22561436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).