N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C8H13F3N4O — CID 103216323

IUPACN-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cnnn1C
InChIInChI=1S/C8H13F3N4O/c1-12-6(4-16-5-8(9,10)11)7-3-13-14-15(7)2/h3,6,12H,4-5H2,1-2H3
InChIKeyFZRFIDMQWGOKDA-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.65
Rot. Bonds5

About N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216323) has the molecular formula C8H13F3N4O and a molecular weight of 238.21 g/mol. Its IUPAC name is N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216323
Molecular FormulaC8H13F3N4O
Molecular Weight238.21 g/mol
Exact Mass238.10
IUPAC NameN-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cnnn1C
InChIInChI=1S/C8H13F3N4O/c1-12-6(4-16-5-8(9,10)11)7-3-13-14-15(7)2/h3,6,12H,4-5H2,1-2H3
InChIKeyFZRFIDMQWGOKDA-UHFFFAOYSA-N
XLogP0.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216323) is N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cnnn1C.
What is the InChIKey of N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is FZRFIDMQWGOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O/c1-12-6(4-16-5-8(9,10)11)7-3-13-14-15(7)2/h3,6,12H,4-5H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 238.21 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).