2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine

C10H21F3N2O — CID 62010161

IUPAC2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
SMILESCCN(CCOCC(F)(F)F)C(C)(C)CN
InChIInChI=1S/C10H21F3N2O/c1-4-15(9(2,3)7-14)5-6-16-8-10(11,12)13/h4-8,14H2,1-3H3
InChIKeyUZDUMDCYISDFSB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.62
Rot. Bonds7

About 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine

2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine (PubChem CID 62010161) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
PubChem CID62010161
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
SMILESCCN(CCOCC(F)(F)F)C(C)(C)CN
InChIInChI=1S/C10H21F3N2O/c1-4-15(9(2,3)7-14)5-6-16-8-10(11,12)13/h4-8,14H2,1-3H3
InChIKeyUZDUMDCYISDFSB-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
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 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine (CID 62010161) is 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine is CCN(CCOCC(F)(F)F)C(C)(C)CN.
What is the InChIKey of 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
The InChIKey is UZDUMDCYISDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-4-15(9(2,3)7-14)5-6-16-8-10(11,12)13/h4-8,14H2,1-3H3.
What are the key properties of 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine?
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine is sourced from PubChem (CID 62010161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).