5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid

C10H11F3N2O3 — CID 104622531

IUPAC5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)6-4-2-1-3-5(6)7-14-15-8(18-7)9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyFCATZLGKIYCCSM-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.60
Rot. Bonds2

About 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid

5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 104622531) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID104622531
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)6-4-2-1-3-5(6)7-14-15-8(18-7)9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyFCATZLGKIYCCSM-UHFFFAOYSA-N
XLogP2.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid (CID 104622531) is 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is FCATZLGKIYCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)6-4-2-1-3-5(6)7-14-15-8(18-7)9(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 104622531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).