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

C6H9ClF3N3O — CID 122360071

IUPAC3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O.ClH/c7-6(8,9)5-11-4(12-13-5)2-1-3-10;/h1-3,10H2;1H
InChIKeyUDCNFHZBDNCNQQ-UHFFFAOYSA-N
MW231.60 g/mol
LogP1.40
Rot. Bonds3

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

3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride (PubChem CID 122360071) has the molecular formula C6H9ClF3N3O and a molecular weight of 231.60 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride
PubChem CID122360071
Molecular FormulaC6H9ClF3N3O
Molecular Weight231.60 g/mol
Exact Mass231.04
IUPAC Name3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O.ClH/c7-6(8,9)5-11-4(12-13-5)2-1-3-10;/h1-3,10H2;1H
InChIKeyUDCNFHZBDNCNQQ-UHFFFAOYSA-N
XLogP1.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.60
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride (CID 122360071) is 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride is Cl.NCCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride?
The InChIKey is UDCNFHZBDNCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O.ClH/c7-6(8,9)5-11-4(12-13-5)2-1-3-10;/h1-3,10H2;1H.
What are the key properties of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride?
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride has a molecular weight of 231.60 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 122360071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).