1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C11H16F3N3O — CID 79953698

IUPAC1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-4-8-16-9(18-17-8)10(15)5-2-1-3-6-10/h1-7,15H2
InChIKeyRQASDTRVDWYMRC-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 79953698) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID79953698
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CCC(F)(F)F)no2)CCCCC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-4-8-16-9(18-17-8)10(15)5-2-1-3-6-10/h1-7,15H2
InChIKeyRQASDTRVDWYMRC-UHFFFAOYSA-N
XLogP2.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 79953698) is 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(CCC(F)(F)F)no2)CCCCC1.
What is the InChIKey of 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is RQASDTRVDWYMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)7-4-8-16-9(18-17-8)10(15)5-2-1-3-6-10/h1-7,15H2.
What are the key properties of 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 79953698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).