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

C5H7ClF3N3O — CID 71756663

IUPAC[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3O.ClH/c6-5(7,8)1-4-10-3(2-9)11-12-4;/h1-2,9H2;1H
InChIKeyPZWWMQQYLGWOKH-UHFFFAOYSA-N
MW217.58 g/mol
LogP1.05
Rot. Bonds2

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

[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (PubChem CID 71756663) has the molecular formula C5H7ClF3N3O and a molecular weight of 217.58 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
PubChem CID71756663
Molecular FormulaC5H7ClF3N3O
Molecular Weight217.58 g/mol
Exact Mass217.02
IUPAC Name[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3O.ClH/c6-5(7,8)1-4-10-3(2-9)11-12-4;/h1-2,9H2;1H
InChIKeyPZWWMQQYLGWOKH-UHFFFAOYSA-N
XLogP1.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.58
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (CID 71756663) is [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is Cl.NCc1noc(CC(F)(F)F)n1.
What is the InChIKey of [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The InChIKey is PZWWMQQYLGWOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O.ClH/c6-5(7,8)1-4-10-3(2-9)11-12-4;/h1-2,9H2;1H.
What are the key properties of [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride has a molecular weight of 217.58 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 71756663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).