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

C11H16F3N3O — CID 79952970

IUPAC2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCCC1c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)6-5-9-16-10(18-17-9)7-3-1-2-4-8(7)15/h7-8H,1-6,15H2
InChIKeyARLZSHACHBWCTH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.55
Rot. Bonds3

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

2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 79952970) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID79952970
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCCC1c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)6-5-9-16-10(18-17-9)7-3-1-2-4-8(7)15/h7-8H,1-6,15H2
InChIKeyARLZSHACHBWCTH-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 79952970) is 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1CCCCC1c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is ARLZSHACHBWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)6-5-9-16-10(18-17-9)7-3-1-2-4-8(7)15/h7-8H,1-6,15H2.
What are the key properties of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-[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 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 79952970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).