3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine

C12H12F3N3O — CID 75454577

IUPAC3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
SMILESFC(F)(F)COCCn1ccnc1-c1cccnc1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-19-7-6-18-5-4-17-11(18)10-2-1-3-16-8-10/h1-5,8H,6-7,9H2
InChIKeyNDKPHAJWWYAHNP-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.52
Rot. Bonds5

About 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine

3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine (PubChem CID 75454577) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
PubChem CID75454577
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
SMILESFC(F)(F)COCCn1ccnc1-c1cccnc1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-19-7-6-18-5-4-17-11(18)10-2-1-3-16-8-10/h1-5,8H,6-7,9H2
InChIKeyNDKPHAJWWYAHNP-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine (CID 75454577) is 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine is FC(F)(F)COCCn1ccnc1-c1cccnc1.
What is the InChIKey of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
The InChIKey is NDKPHAJWWYAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)9-19-7-6-18-5-4-17-11(18)10-2-1-3-16-8-10/h1-5,8H,6-7,9H2.
What are the key properties of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine has a molecular weight of 271.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 75454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).