2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide

C9H17F3N2O2 — CID 63040815

IUPAC2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
SMILESCC(C)NC(CCOCC(F)(F)F)C(N)=O
InChIInChI=1S/C9H17F3N2O2/c1-6(2)14-7(8(13)15)3-4-16-5-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyZIMXUKKAVFZZBO-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds7

About 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide

2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 63040815) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
PubChem CID63040815
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
SMILESCC(C)NC(CCOCC(F)(F)F)C(N)=O
InChIInChI=1S/C9H17F3N2O2/c1-6(2)14-7(8(13)15)3-4-16-5-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyZIMXUKKAVFZZBO-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
CID 55144921
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
CID 103180074
2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040262
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
(2S)-2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 106702742
2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490488
[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide (CID 63040815) is 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide is CC(C)NC(CCOCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is ZIMXUKKAVFZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(2)14-7(8(13)15)3-4-16-5-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide?
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 63040815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).