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

C10H15ClF3N3O — CID 159064815

IUPAC[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H14F3N3O.ClH/c11-10(12,13)9-15-8(16-17-9)7-3-1-6(5-14)2-4-7;/h6-7H,1-5,14H2;1H
InChIKeyDXJUQZHTOBXQHA-UHFFFAOYSA-N
MW285.70 g/mol
LogP2.74
Rot. Bonds2

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

[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride (PubChem CID 159064815) has the molecular formula C10H15ClF3N3O and a molecular weight of 285.70 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride
PubChem CID159064815
Molecular FormulaC10H15ClF3N3O
Molecular Weight285.70 g/mol
Exact Mass285.09
IUPAC Name[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H14F3N3O.ClH/c11-10(12,13)9-15-8(16-17-9)7-3-1-6(5-14)2-4-7;/h6-7H,1-5,14H2;1H
InChIKeyDXJUQZHTOBXQHA-UHFFFAOYSA-N
XLogP2.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride (CID 159064815) is [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride is Cl.NCC1CCC(c2noc(C(F)(F)F)n2)CC1.
What is the InChIKey of [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride?
The InChIKey is DXJUQZHTOBXQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O.ClH/c11-10(12,13)9-15-8(16-17-9)7-3-1-6(5-14)2-4-7;/h6-7H,1-5,14H2;1H.
What are the key properties of [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride?
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride has a molecular weight of 285.70 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 159064815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).