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

C13H25F3N2O — CID 104745592

IUPACN'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCNC(CN(CC)CC(F)(F)F)C1CCOC1
InChIInChI=1S/C13H25F3N2O/c1-3-6-17-12(11-5-7-19-9-11)8-18(4-2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyKSCLYRONUPBDOO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds8

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

N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104745592) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104745592
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCNC(CN(CC)CC(F)(F)F)C1CCOC1
InChIInChI=1S/C13H25F3N2O/c1-3-6-17-12(11-5-7-19-9-11)8-18(4-2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyKSCLYRONUPBDOO-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104745592) is N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCNC(CN(CC)CC(F)(F)F)C1CCOC1.
What is the InChIKey of N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KSCLYRONUPBDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-6-17-12(11-5-7-19-9-11)8-18(4-2)10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 8 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-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104745592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).