4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

C8H10F3N3O2 — CID 82007866

IUPAC4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1(c2nc(C(F)(F)F)no2)CCOCC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-13-6(16-14-5)7(12)1-3-15-4-2-7/h1-4,12H2
InChIKeyRCGGUSVLVYPKIW-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.05
Rot. Bonds1

About 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 82007866) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID82007866
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1(c2nc(C(F)(F)F)no2)CCOCC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-13-6(16-14-5)7(12)1-3-15-4-2-7/h1-4,12H2
InChIKeyRCGGUSVLVYPKIW-UHFFFAOYSA-N
XLogP1.05
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 82007866) is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is NC1(c2nc(C(F)(F)F)no2)CCOCC1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is RCGGUSVLVYPKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-13-6(16-14-5)7(12)1-3-15-4-2-7/h1-4,12H2.
What are the key properties of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 237.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 82007866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).