2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile

C10H11F3N4O — CID 71793474

IUPAC2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9-16-15-8(18-9)7-1-4-17(5-2-7)6-3-14/h7H,1-2,4-6H2
InChIKeyXNQWZGPKLRDGIX-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.79
Rot. Bonds2

About 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile

2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile (PubChem CID 71793474) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile
PubChem CID71793474
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9-16-15-8(18-9)7-1-4-17(5-2-7)6-3-14/h7H,1-2,4-6H2
InChIKeyXNQWZGPKLRDGIX-UHFFFAOYSA-N
XLogP1.79
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile (CID 71793474) is 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile is N#CCN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile?
The InChIKey is XNQWZGPKLRDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)9-16-15-8(18-9)7-1-4-17(5-2-7)6-3-14/h7H,1-2,4-6H2.
What are the key properties of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile?
2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile has a molecular weight of 260.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 71793474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).