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

C7H13F3N2O2 — CID 168832917

IUPACN-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide
SMILESNCCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)6(13)12-3-1-4-14-5-2-11/h1-5,11H2,(H,12,13)
InChIKeyZCAUMNAMBOBMNC-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.03
Rot. Bonds6

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

N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide (PubChem CID 168832917) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide
PubChem CID168832917
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide
SMILESNCCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)6(13)12-3-1-4-14-5-2-11/h1-5,11H2,(H,12,13)
InChIKeyZCAUMNAMBOBMNC-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.03
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-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide (CID 168832917) is N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide is NCCOCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZCAUMNAMBOBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)6(13)12-3-1-4-14-5-2-11/h1-5,11H2,(H,12,13).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide?
N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 214.19 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 168832917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).