N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide

C8H15F3N2O2 — CID 82721266

IUPACN,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCN(CC)C(=O)CNOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-13(4-2)7(14)5-12-15-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyPEYRFPAYXUIUAK-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.94
Rot. Bonds6

About N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide

N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide (PubChem CID 82721266) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
PubChem CID82721266
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCN(CC)C(=O)CNOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-13(4-2)7(14)5-12-15-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyPEYRFPAYXUIUAK-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531
N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721531
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976
N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721516
3-methyl-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261634
N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79281708
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 65173475
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The IUPAC name of N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide (CID 82721266) is N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide is CCN(CC)C(=O)CNOCC(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The InChIKey is PEYRFPAYXUIUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-3-13(4-2)7(14)5-12-15-6-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide has a molecular weight of 228.21 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide is sourced from PubChem (CID 82721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).