3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one

C11H13F3N2O2 — CID 55202002

IUPAC3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1nc(C2CCCCC2)no1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8(17)6-9-15-10(16-18-9)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyYZMXUNIQDMQHAO-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.79
Rot. Bonds3

About 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one

3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 55202002) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
PubChem CID55202002
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
SMILESO=C(Cc1nc(C2CCCCC2)no1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8(17)6-9-15-10(16-18-9)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyYZMXUNIQDMQHAO-UHFFFAOYSA-N
XLogP2.79
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one (CID 55202002) is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one is O=C(Cc1nc(C2CCCCC2)no1)C(F)(F)F.
What is the InChIKey of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is YZMXUNIQDMQHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8(17)6-9-15-10(16-18-9)7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one?
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one has a molecular weight of 262.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 55202002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).