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

C9H17F3N2O — CID 104744976

IUPACN'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CC(N)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-14(6-9(10,11)12)4-8(13)7-2-3-15-5-7/h7-8H,2-6,13H2,1H3
InChIKeyBENQRCKCMOVBOU-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.84
Rot. Bonds4

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

N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104744976) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104744976
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CC(N)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-14(6-9(10,11)12)4-8(13)7-2-3-15-5-7/h7-8H,2-6,13H2,1H3
InChIKeyBENQRCKCMOVBOU-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104744976) is N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CC(N)C1CCOC1)CC(F)(F)F.
What is the InChIKey of N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is BENQRCKCMOVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(6-9(10,11)12)4-8(13)7-2-3-15-5-7/h7-8H,2-6,13H2,1H3.
What are the key properties of N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104744976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).