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

C8H6F3N3OS — CID 61345768

IUPACthiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)7-13-6(14-15-7)5(12)4-2-1-3-16-4/h1-3,5H,12H2
InChIKeyFWFNJTWAYVCMRI-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.20
Rot. Bonds2

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

thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61345768) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namethiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61345768
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Namethiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)7-13-6(14-15-7)5(12)4-2-1-3-16-4/h1-3,5H,12H2
InChIKeyFWFNJTWAYVCMRI-UHFFFAOYSA-N
XLogP2.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61345768) is thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(C(F)(F)F)n1)c1cccs1.
What is the InChIKey of thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is FWFNJTWAYVCMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)7-13-6(14-15-7)5(12)4-2-1-3-16-4/h1-3,5H,12H2.
What are the key properties of thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 249.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61345768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).