2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C8H5ClF3N3 — CID 67206928

IUPAC2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESFC(F)(F)c1cc2nc(CCl)cn2cn1
InChIInChI=1S/C8H5ClF3N3/c9-2-5-3-15-4-13-6(8(10,11)12)1-7(15)14-5/h1,3-4H,2H2
InChIKeyLMPREJZISMTNIN-UHFFFAOYSA-N
MW235.60 g/mol
LogP2.49
Rot. Bonds1

About 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 67206928) has the molecular formula C8H5ClF3N3 and a molecular weight of 235.60 g/mol. Its IUPAC name is 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID67206928
Molecular FormulaC8H5ClF3N3
Molecular Weight235.60 g/mol
Exact Mass235.01
IUPAC Name2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESFC(F)(F)c1cc2nc(CCl)cn2cn1
InChIInChI=1S/C8H5ClF3N3/c9-2-5-3-15-4-13-6(8(10,11)12)1-7(15)14-5/h1,3-4H,2H2
InChIKeyLMPREJZISMTNIN-UHFFFAOYSA-N
XLogP2.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.60
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 67206928) is 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is FC(F)(F)c1cc2nc(CCl)cn2cn1.
What is the InChIKey of 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is LMPREJZISMTNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3/c9-2-5-3-15-4-13-6(8(10,11)12)1-7(15)14-5/h1,3-4H,2H2.
What are the key properties of 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 235.60 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 67206928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).