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

C6H8ClF2N3O — CID 67395977

IUPAC1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C6H7F2N3O.ClH/c7-3(8)4-10-5(12-11-4)6(9)1-2-6;/h3H,1-2,9H2;1H
InChIKeyJPMFXQHEOZUXDJ-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.38
Rot. Bonds2

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

1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride (PubChem CID 67395977) has the molecular formula C6H8ClF2N3O and a molecular weight of 211.60 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
PubChem CID67395977
Molecular FormulaC6H8ClF2N3O
Molecular Weight211.60 g/mol
Exact Mass211.03
IUPAC Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C6H7F2N3O.ClH/c7-3(8)4-10-5(12-11-4)6(9)1-2-6;/h3H,1-2,9H2;1H
InChIKeyJPMFXQHEOZUXDJ-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride (CID 67395977) is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2nc(C(F)F)no2)CC1.
What is the InChIKey of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The InChIKey is JPMFXQHEOZUXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O.ClH/c7-3(8)4-10-5(12-11-4)6(9)1-2-6;/h3H,1-2,9H2;1H.
What are the key properties of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride has a molecular weight of 211.60 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 67395977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).