N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H21F3N2O — CID 63692867

IUPACN'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-15(7-8-16-4-2)6-5-14-9-10(11,12)13/h14H,3-9H2,1-2H3
InChIKeyCOTUQWJPKSBJCG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds9

About N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 63692867) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID63692867
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-15(7-8-16-4-2)6-5-14-9-10(11,12)13/h14H,3-9H2,1-2H3
InChIKeyCOTUQWJPKSBJCG-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
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 N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 63692867) is N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCOCCN(CC)CCNCC(F)(F)F.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is COTUQWJPKSBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-3-15(7-8-16-4-2)6-5-14-9-10(11,12)13/h14H,3-9H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 63692867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).