2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide

C8H15F3N2O — CID 59603469

IUPAC2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
SMILESCC(C)CNCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(2)5-12-3-4-13-7(14)8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyFETVDPOCLHSHCL-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.91
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide (PubChem CID 59603469) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
PubChem CID59603469
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
SMILESCC(C)CNCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(2)5-12-3-4-13-7(14)8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyFETVDPOCLHSHCL-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide (CID 59603469) is 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide is CC(C)CNCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
The InChIKey is FETVDPOCLHSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6(2)5-12-3-4-13-7(14)8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide has a molecular weight of 212.21 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide is sourced from PubChem (CID 59603469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).