N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide

C8H15F3N2O2 — CID 21029229

IUPACN-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide
SMILESNCCCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)7(14)13-4-2-6-15-5-1-3-12/h1-6,12H2,(H,13,14)
InChIKeyWVPWECZPLZBUPA-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.42
Rot. Bonds7

About N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide

N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide (PubChem CID 21029229) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide
PubChem CID21029229
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide
SMILESNCCCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)7(14)13-4-2-6-15-5-1-3-12/h1-6,12H2,(H,13,14)
InChIKeyWVPWECZPLZBUPA-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide (CID 21029229) is N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide is NCCCOCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is WVPWECZPLZBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)7(14)13-4-2-6-15-5-1-3-12/h1-6,12H2,(H,13,14).
What are the key properties of N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide?
N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 228.21 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21029229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).