3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide

C8H15F3N2O2 — CID 82721459

IUPAC3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide
SMILESCCNC(C)CC(=O)NOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-12-6(2)4-7(14)13-15-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyLCPDPLUKQZDZHQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.98
Rot. Bonds6

About 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide

3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 82721459) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID82721459
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide
SMILESCCNC(C)CC(=O)NOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-12-6(2)4-7(14)13-15-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyLCPDPLUKQZDZHQ-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724015
5-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 82722190
2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799110
2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340409
3-(ethylamino)butanamide
CID 18792210
3-methylbutyl 3-(ethylamino)butanoate
CID 62828197
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 103164605
3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
N-methyl-3-(3,3,3-trifluoropropylamino)butanamide
CID 115727214

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide (CID 82721459) is 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide is CCNC(C)CC(=O)NOCC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is LCPDPLUKQZDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-3-12-6(2)4-7(14)13-15-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide?
3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 228.21 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 82721459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).