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

C6H6F3N3O — CID 58431147

IUPAC1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-11-3(12-13-4)5(10)1-2-5/h1-2,10H2
InChIKeyYMCPCVKHPKGTDZ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.04
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine (PubChem CID 58431147) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
PubChem CID58431147
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-11-3(12-13-4)5(10)1-2-5/h1-2,10H2
InChIKeyYMCPCVKHPKGTDZ-UHFFFAOYSA-N
XLogP1.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine (CID 58431147) is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine is NC1(c2noc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The InChIKey is YMCPCVKHPKGTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)4-11-3(12-13-4)5(10)1-2-5/h1-2,10H2.
What are the key properties of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine has a molecular weight of 193.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 58431147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).