N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H19F3N2O2 — CID 103212926

IUPACN-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(C)(CN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(2,6-14)15-8(16)4-5-17-7-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16)
InChIKeyHAIUFOFTWKVVRI-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.20
Rot. Bonds7

About N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212926) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212926
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(C)(CN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(2,6-14)15-8(16)4-5-17-7-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16)
InChIKeyHAIUFOFTWKVVRI-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212926) is N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CCC(C)(CN)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HAIUFOFTWKVVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-9(2,6-14)15-8(16)4-5-17-7-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).