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

C10H14F3N3O — CID 71172939

IUPAC[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-15-8(17-16-9)7-3-1-6(5-14)2-4-7/h6-7H,1-5,14H2
InChIKeyKTEXZSMJOGQDJP-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.32
Rot. Bonds2

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

[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 71172939) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID71172939
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-15-8(17-16-9)7-3-1-6(5-14)2-4-7/h6-7H,1-5,14H2
InChIKeyKTEXZSMJOGQDJP-UHFFFAOYSA-N
XLogP2.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 71172939) is [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is NCC1CCC(c2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is KTEXZSMJOGQDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)9-15-8(17-16-9)7-3-1-6(5-14)2-4-7/h6-7H,1-5,14H2.
What are the key properties of [4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 249.24 g/mol, XLogP of 2.32, 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 is sourced from PubChem (CID 71172939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).