N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine

C6H8F3N3O — CID 62137733

IUPACN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-10-3-5-12-11-4(13-5)2-6(7,8)9/h10H,2-3H2,1H3
InChIKeyTZUFTJIXQQGDNO-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.89
Rot. Bonds3

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

N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62137733) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62137733
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-10-3-5-12-11-4(13-5)2-6(7,8)9/h10H,2-3H2,1H3
InChIKeyTZUFTJIXQQGDNO-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62137733) is N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is TZUFTJIXQQGDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-10-3-5-12-11-4(13-5)2-6(7,8)9/h10H,2-3H2,1H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 195.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62137733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).