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

C10H19F3N2O — CID 104744978

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

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

N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104744978) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104744978
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CC(F)(F)F)C1CCOC1
InChIInChI=1S/C10H19F3N2O/c1-14-9(8-3-4-16-6-8)5-15(2)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyRZAYZIJKKAHZNP-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104744978) is N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CNC(CN(C)CC(F)(F)F)C1CCOC1.
What is the InChIKey of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is RZAYZIJKKAHZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-14-9(8-3-4-16-6-8)5-15(2)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104744978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).