2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C8H17F3N2O — CID 63071578

IUPAC2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-14-7(4-12)5-13(2)6-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyRENCQHSZVTZZBA-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.84
Rot. Bonds6

About 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 63071578) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID63071578
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-14-7(4-12)5-13(2)6-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyRENCQHSZVTZZBA-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 63071578) is 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCOC(CN)CN(C)CC(F)(F)F.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is RENCQHSZVTZZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-3-14-7(4-12)5-13(2)6-8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 63071578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).