N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid

C6H13F3N2O2 — CID 87541329

IUPACN',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
SMILESCN(C)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C4H12N2.C2HF3O2/c1-6(2)4-3-5;3-2(4,5)1(6)7/h3-5H2,1-2H3;(H,6,7)
InChIKeyZSRYYDLBIBTVDU-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.14
Rot. Bonds2

About N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid

N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid (PubChem CID 87541329) has the molecular formula C6H13F3N2O2 and a molecular weight of 202.18 g/mol. Its IUPAC name is N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
PubChem CID87541329
Molecular FormulaC6H13F3N2O2
Molecular Weight202.18 g/mol
Exact Mass202.09
IUPAC NameN',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
SMILESCN(C)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C4H12N2.C2HF3O2/c1-6(2)4-3-5;3-2(4,5)1(6)7/h3-5H2,1-2H3;(H,6,7)
InChIKeyZSRYYDLBIBTVDU-UHFFFAOYSA-N
XLogP0.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid (CID 87541329) is N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid is CN(C)CCN.O=C(O)C(F)(F)F.
What is the InChIKey of N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is ZSRYYDLBIBTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.C2HF3O2/c1-6(2)4-3-5;3-2(4,5)1(6)7/h3-5H2,1-2H3;(H,6,7).
What are the key properties of N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid?
N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 202.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87541329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).