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

C6H8F3N3O — CID 103605108

IUPAC2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCc1nnc(CNCC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-4-11-12-5(13-4)2-10-3-6(7,8)9/h10H,2-3H2,1H3
InChIKeyNNKKGDPUORHPSX-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.03
Rot. Bonds3

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

2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 103605108) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID103605108
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCc1nnc(CNCC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-4-11-12-5(13-4)2-10-3-6(7,8)9/h10H,2-3H2,1H3
InChIKeyNNKKGDPUORHPSX-UHFFFAOYSA-N
XLogP1.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 103605108) is 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is Cc1nnc(CNCC(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is NNKKGDPUORHPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-4-11-12-5(13-4)2-10-3-6(7,8)9/h10H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 195.14 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103605108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).