N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide

C6H12F3N3O — CID 22902941

IUPACN,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide
SMILESNCCN(CCN)C(=O)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)5(13)12(3-1-10)4-2-11/h1-4,10-11H2
InChIKeyXGAOGMPRBOEYLC-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.71
Rot. Bonds4

About N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide

N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide (PubChem CID 22902941) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide
PubChem CID22902941
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC NameN,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide
SMILESNCCN(CCN)C(=O)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)5(13)12(3-1-10)4-2-11/h1-4,10-11H2
InChIKeyXGAOGMPRBOEYLC-UHFFFAOYSA-N
XLogP-0.71
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide (CID 22902941) is N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide is NCCN(CCN)C(=O)C(F)(F)F.
What is the InChIKey of N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide?
The InChIKey is XGAOGMPRBOEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c7-6(8,9)5(13)12(3-1-10)4-2-11/h1-4,10-11H2.
What are the key properties of N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide?
N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide has a molecular weight of 199.18 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22902941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).