1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride

C7H9ClF3N3O — CID 67389916

IUPAC1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C7H8F3N3O.ClH/c8-7(9,10)3-4-12-5(14-13-4)6(11)1-2-6;/h1-3,11H2;1H
InChIKeySKVKZWFTFOMTPG-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.54
Rot. Bonds2

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

1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride (PubChem CID 67389916) has the molecular formula C7H9ClF3N3O and a molecular weight of 243.62 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
PubChem CID67389916
Molecular FormulaC7H9ClF3N3O
Molecular Weight243.62 g/mol
Exact Mass243.04
IUPAC Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C7H8F3N3O.ClH/c8-7(9,10)3-4-12-5(14-13-4)6(11)1-2-6;/h1-3,11H2;1H
InChIKeySKVKZWFTFOMTPG-UHFFFAOYSA-N
XLogP1.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride (CID 67389916) is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2nc(CC(F)(F)F)no2)CC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The InChIKey is SKVKZWFTFOMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.ClH/c8-7(9,10)3-4-12-5(14-13-4)6(11)1-2-6;/h1-3,11H2;1H.
What are the key properties of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride has a molecular weight of 243.62 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 67389916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).