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

C5H8ClF2N3O — CID 71757428

IUPAC1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCC(N)c1noc(C(F)F)n1.Cl
InChIInChI=1S/C5H7F2N3O.ClH/c1-2(8)4-9-5(3(6)7)11-10-4;/h2-3H,8H2,1H3;1H
InChIKeyCPOIRHXEQYKDOD-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.45
Rot. Bonds2

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

1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (PubChem CID 71757428) has the molecular formula C5H8ClF2N3O and a molecular weight of 199.59 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
PubChem CID71757428
Molecular FormulaC5H8ClF2N3O
Molecular Weight199.59 g/mol
Exact Mass199.03
IUPAC Name1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCC(N)c1noc(C(F)F)n1.Cl
InChIInChI=1S/C5H7F2N3O.ClH/c1-2(8)4-9-5(3(6)7)11-10-4;/h2-3H,8H2,1H3;1H
InChIKeyCPOIRHXEQYKDOD-UHFFFAOYSA-N
XLogP1.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (CID 71757428) is 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is CC(N)c1noc(C(F)F)n1.Cl.
What is the InChIKey of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The InChIKey is CPOIRHXEQYKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O.ClH/c1-2(8)4-9-5(3(6)7)11-10-4;/h2-3H,8H2,1H3;1H.
What are the key properties of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride has a molecular weight of 199.59 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 71757428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).