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

C8H15F3N2O2 — CID 82722976

IUPACN-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCCCNC(=O)CNOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-3-4-12-7(14)5-13-15-6-8(9,10)11/h13H,2-6H2,1H3,(H,12,14)
InChIKeyRKPVQPGNGRSHFD-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.99
Rot. Bonds7

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

N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide (PubChem CID 82722976) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
PubChem CID82722976
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCCCNC(=O)CNOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-3-4-12-7(14)5-13-15-6-8(9,10)11/h13H,2-6H2,1H3,(H,12,14)
InChIKeyRKPVQPGNGRSHFD-UHFFFAOYSA-N
XLogP0.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
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-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279
N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721516
N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721531
N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82722236
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721266
N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
CID 107529803
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
[2-(butylamino)-2-oxoethyl]carbamothioic S-acid
CID 130217522
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The IUPAC name of N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide (CID 82722976) is N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide.
What is the SMILES notation for N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The canonical SMILES for N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide is CCCCNC(=O)CNOCC(F)(F)F.
What is the InChIKey of N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The InChIKey is RKPVQPGNGRSHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-3-4-12-7(14)5-13-15-6-8(9,10)11/h13H,2-6H2,1H3,(H,12,14).
What are the key properties of N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide has a molecular weight of 228.21 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide is sourced from PubChem (CID 82722976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).