4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine

C8H6ClF3N2O — CID 106766638

IUPAC4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine
SMILESC=CCOc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF3N2O/c1-2-3-15-6-4-5(9)13-7(14-6)8(10,11)12/h2,4H,1,3H2
InChIKeyXTKXETMBJQOCDX-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.71
Rot. Bonds3

About 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine

4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766638) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766638
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC Name4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine
SMILESC=CCOc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF3N2O/c1-2-3-15-6-4-5(9)13-7(14-6)8(10,11)12/h2,4H,1,3H2
InChIKeyXTKXETMBJQOCDX-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine (CID 106766638) is 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine is C=CCOc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is XTKXETMBJQOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c1-2-3-15-6-4-5(9)13-7(14-6)8(10,11)12/h2,4H,1,3H2.
What are the key properties of 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 238.60 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).