N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H19F3N2O — CID 104745588

IUPACN'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC(N)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-15(7-10(11,12)13)5-9(14)8-3-4-16-6-8/h8-9H,2-7,14H2,1H3
InChIKeyHUEYPXQZJOGIIR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds5

About N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104745588) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104745588
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC(N)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-15(7-10(11,12)13)5-9(14)8-3-4-16-6-8/h8-9H,2-7,14H2,1H3
InChIKeyHUEYPXQZJOGIIR-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104745588) is N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CC(N)C1CCOC1)CC(F)(F)F.
What is the InChIKey of N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HUEYPXQZJOGIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-15(7-10(11,12)13)5-9(14)8-3-4-16-6-8/h8-9H,2-7,14H2,1H3.
What are the key properties of N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104745588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).