N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2O2 — CID 165494113

IUPACN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCNCCN(CC1COC(C)(C)O1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2)17-7-9(18-10)6-16(5-4-15-3)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyIQOBJLMZUHITBW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.22
Rot. Bonds6

About N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 165494113) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID165494113
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCNCCN(CC1COC(C)(C)O1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2)17-7-9(18-10)6-16(5-4-15-3)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyIQOBJLMZUHITBW-UHFFFAOYSA-N
XLogP1.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 165494113) is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CNCCN(CC1COC(C)(C)O1)CC(F)(F)F.
What is the InChIKey of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is IQOBJLMZUHITBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(2)17-7-9(18-10)6-16(5-4-15-3)8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 270.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 165494113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).