2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C8H17F3N2O — CID 62567950

IUPAC2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCCNC(C)CNCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(13-3-4-14-2)5-12-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyUNFQMXDVGLFSCO-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.76
Rot. Bonds7

About 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62567950) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62567950
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCCNC(C)CNCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-7(13-3-4-14-2)5-12-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyUNFQMXDVGLFSCO-UHFFFAOYSA-N
XLogP0.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.76
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 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62567950) is 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is COCCNC(C)CNCC(F)(F)F.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is UNFQMXDVGLFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-7(13-3-4-14-2)5-12-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3.
What are the key properties of 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62567950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).