N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H15F3N2O2 — CID 103209512

IUPACN-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-6(3-12)13-7(14)4-15-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyCOJOEJZJWIJVDL-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.42
Rot. Bonds6

About N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209512) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209512
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-6(3-12)13-7(14)4-15-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyCOJOEJZJWIJVDL-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114212190
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728
N-[(2R)-1-hydroxybutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103919727
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119606098
N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212563
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113254236
(2S)-4-methoxy-4-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]butanoic acid
CID 103205985

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209512) is N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(CN)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is COJOEJZJWIJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-6(3-12)13-7(14)4-15-5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 228.21 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).