2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C9H14F3N3O2 — CID 56788633

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nnc(C)o1)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O2/c1-7-13-14-8(17-7)5-15(3-4-16-2)6-9(10,11)12/h3-6H2,1-2H3
InChIKeySOLVVMSQXFWNPN-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.39
Rot. Bonds6

About 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 56788633) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID56788633
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nnc(C)o1)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O2/c1-7-13-14-8(17-7)5-15(3-4-16-2)6-9(10,11)12/h3-6H2,1-2H3
InChIKeySOLVVMSQXFWNPN-UHFFFAOYSA-N
XLogP1.39
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 72017268
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 75433500
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258345
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258925
N-ethyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 83959780
N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959781
4-[[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 83959783
2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605108
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856874
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857824
2-(2,2-difluoroethoxy)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 105910769

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 56788633) is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is COCCN(Cc1nnc(C)o1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is SOLVVMSQXFWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-7-13-14-8(17-7)5-15(3-4-16-2)6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 253.22 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 56788633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).