[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine

C6H8F3N3O2 — CID 103472761

IUPAC[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)3-13-2-4-11-5(1-10)14-12-4/h1-3,10H2
InChIKeyACLPYDPNLUOMCS-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.61
Rot. Bonds4

About [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 103472761) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID103472761
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)3-13-2-4-11-5(1-10)14-12-4/h1-3,10H2
InChIKeyACLPYDPNLUOMCS-UHFFFAOYSA-N
XLogP0.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 103472761) is [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ACLPYDPNLUOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2/c7-6(8,9)3-13-2-4-11-5(1-10)14-12-4/h1-3,10H2.
What are the key properties of [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 211.14 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 103472761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).