2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine

C8H8ClF3N2O — CID 114562005

IUPAC2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine
SMILESCCCOc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H8ClF3N2O/c1-2-3-15-6-4-5(8(10,11)12)13-7(9)14-6/h4H,2-3H2,1H3
InChIKeyQWZZTGIQXOFQKN-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine

2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 114562005) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine
PubChem CID114562005
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine
SMILESCCCOc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H8ClF3N2O/c1-2-3-15-6-4-5(8(10,11)12)13-7(9)14-6/h4H,2-3H2,1H3
InChIKeyQWZZTGIQXOFQKN-UHFFFAOYSA-N
XLogP2.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine (CID 114562005) is 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine is CCCOc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is QWZZTGIQXOFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-2-3-15-6-4-5(8(10,11)12)13-7(9)14-6/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine?
2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 240.61 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).