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

C10H9ClF3N3O — CID 57365281

IUPAC[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C10H8F3N3O.ClH/c11-10(12,13)7-3-1-6(2-4-7)9-15-8(5-14)17-16-9;/h1-4H,5,14H2;1H
InChIKeyBAFKYHSZPYRFCL-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.64
Rot. Bonds2

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

[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 57365281) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID57365281
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C10H8F3N3O.ClH/c11-10(12,13)7-3-1-6(2-4-7)9-15-8(5-14)17-16-9;/h1-4H,5,14H2;1H
InChIKeyBAFKYHSZPYRFCL-UHFFFAOYSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 57365281) is [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is BAFKYHSZPYRFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O.ClH/c11-10(12,13)7-3-1-6(2-4-7)9-15-8(5-14)17-16-9;/h1-4H,5,14H2;1H.
What are the key properties of [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 279.65 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 57365281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).