N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide

C6H12F3N3O — CID 10535989

IUPACN-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESNCCNCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)5(13)12-4-3-11-2-1-10/h11H,1-4,10H2,(H,12,13)
InChIKeyFPNDPEUYTCQRRC-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.79
Rot. Bonds5

About N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 10535989) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide
PubChem CID10535989
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESNCCNCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)5(13)12-4-3-11-2-1-10/h11H,1-4,10H2,(H,12,13)
InChIKeyFPNDPEUYTCQRRC-UHFFFAOYSA-N
XLogP-0.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide (CID 10535989) is N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide is NCCNCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is FPNDPEUYTCQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c7-6(8,9)5(13)12-4-3-11-2-1-10/h11H,1-4,10H2,(H,12,13).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 199.18 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10535989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).