N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H15F3N2O3 — CID 86925884

IUPACN-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(=O)NCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-7(15)13-3-4-14-8(16)2-5-17-6-9(10,11)12/h2-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyHFMIZALVQQEREB-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.21
Rot. Bonds7

About N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 86925884) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID86925884
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC NameN-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(=O)NCCNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-7(15)13-3-4-14-8(16)2-5-17-6-9(10,11)12/h2-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyHFMIZALVQQEREB-UHFFFAOYSA-N
XLogP0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.21
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-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 86925884) is N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(=O)NCCNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HFMIZALVQQEREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-7(15)13-3-4-14-8(16)2-5-17-6-9(10,11)12/h2-6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 256.22 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 86925884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).