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

C10H15ClF3N3O — CID 159233617

IUPAC[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O.ClH/c11-10(12,13)9-15-8(17-16-9)7-3-1-6(5-14)2-4-7;/h6-7H,1-5,14H2;1H
InChIKeyFLGXLRPUXCCLNQ-UHFFFAOYSA-N
MW285.70 g/mol
LogP2.74
Rot. Bonds2

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

[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride (PubChem CID 159233617) has the molecular formula C10H15ClF3N3O and a molecular weight of 285.70 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride
PubChem CID159233617
Molecular FormulaC10H15ClF3N3O
Molecular Weight285.70 g/mol
Exact Mass285.09
IUPAC Name[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O.ClH/c11-10(12,13)9-15-8(17-16-9)7-3-1-6(5-14)2-4-7;/h6-7H,1-5,14H2;1H
InChIKeyFLGXLRPUXCCLNQ-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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Related Compounds

4-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine hydrochloride
CID 71755671
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine hydrochloride
CID 121605216
[4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine
CID 59462083
4-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812049
tert-butyl N-[[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]carbamate
CID 71172938
[4-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 71172939
N-chloro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine
CID 88270710
5-(4,4-Difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole
CID 147268369
2-Fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 147477748
2,2-Difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 153179785
2,2,2-Trifluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]ethanone
CID 155266229
[4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexyl]methanamine;hydrochloride
CID 159064815

Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride (CID 159233617) is [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride is Cl.NCC1CCC(c2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride?
The InChIKey is FLGXLRPUXCCLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O.ClH/c11-10(12,13)9-15-8(17-16-9)7-3-1-6(5-14)2-4-7;/h6-7H,1-5,14H2;1H.
What are the key properties of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride?
[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-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-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 159233617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).