N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2O — CID 55089660

IUPACN'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)CC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H21F3N2O/c1-9(10-4-3-7-17-10)15-5-6-16(2)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyIKKUXEJOYCWCHZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds6

About N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55089660) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55089660
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)CC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H21F3N2O/c1-9(10-4-3-7-17-10)15-5-6-16(2)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyIKKUXEJOYCWCHZ-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55089660) is N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(NCCN(C)CC(F)(F)F)C1CCCO1.
What is the InChIKey of N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is IKKUXEJOYCWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(10-4-3-7-17-10)15-5-6-16(2)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).