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

C13H10ClF3N2O2 — CID 114561970

IUPAC2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCCOc2ccccc2)nc(Cl)n1
InChIInChI=1S/C13H10ClF3N2O2/c14-12-18-10(13(15,16)17)8-11(19-12)21-7-6-20-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyVCQVICURFRBPLJ-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.61
Rot. Bonds5

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

2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 114561970) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID114561970
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC Name2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCCOc2ccccc2)nc(Cl)n1
InChIInChI=1S/C13H10ClF3N2O2/c14-12-18-10(13(15,16)17)8-11(19-12)21-7-6-20-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyVCQVICURFRBPLJ-UHFFFAOYSA-N
XLogP3.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.61
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 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine (CID 114561970) is 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OCCOc2ccccc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is VCQVICURFRBPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c14-12-18-10(13(15,16)17)8-11(19-12)21-7-6-20-9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 318.68 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).