ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine

C19H17FN2O3 — CID 174443125

IUPACethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine
SMILESCCOC=O.Fc1ccc(Oc2ccc(-c3ccncn3)cc2)cc1
InChIInChI=1S/C16H11FN2O.C3H6O2/c17-13-3-7-15(8-4-13)20-14-5-1-12(2-6-14)16-9-10-18-11-19-16;1-2-5-3-4/h1-11H;3H,2H2,1H3
InChIKeyKNIDYKXYCRIQDM-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.25
Rot. Bonds5

About ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine

ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine (PubChem CID 174443125) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine.

Molecular Properties

Compound Nameethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine
PubChem CID174443125
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Nameethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine
SMILESCCOC=O.Fc1ccc(Oc2ccc(-c3ccncn3)cc2)cc1
InChIInChI=1S/C16H11FN2O.C3H6O2/c17-13-3-7-15(8-4-13)20-14-5-1-12(2-6-14)16-9-10-18-11-19-16;1-2-5-3-4/h1-11H;3H,2H2,1H3
InChIKeyKNIDYKXYCRIQDM-UHFFFAOYSA-N
XLogP4.25
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine?
The IUPAC name of ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine (CID 174443125) is ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine.
What is the SMILES notation for ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine?
The canonical SMILES for ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine is CCOC=O.Fc1ccc(Oc2ccc(-c3ccncn3)cc2)cc1.
What is the InChIKey of ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine?
The InChIKey is KNIDYKXYCRIQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O.C3H6O2/c17-13-3-7-15(8-4-13)20-14-5-1-12(2-6-14)16-9-10-18-11-19-16;1-2-5-3-4/h1-11H;3H,2H2,1H3.
What are the key properties of ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine?
ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine has a molecular weight of 340.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine is sourced from PubChem (CID 174443125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).