4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine

C16H10ClFN2O — CID 1487612

IUPAC4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H10ClFN2O/c17-12-3-1-11(2-4-12)15-9-10-19-16(20-15)21-14-7-5-13(18)6-8-14/h1-10H
InChIKeyYZNVRCSSXIMAAC-UHFFFAOYSA-N
MW300.72 g/mol
LogP4.73
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine

4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine (PubChem CID 1487612) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine
PubChem CID1487612
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H10ClFN2O/c17-12-3-1-11(2-4-12)15-9-10-19-16(20-15)21-14-7-5-13(18)6-8-14/h1-10H
InChIKeyYZNVRCSSXIMAAC-UHFFFAOYSA-N
XLogP4.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine (CID 1487612) is 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine?
The InChIKey is YZNVRCSSXIMAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-12-3-1-11(2-4-12)15-9-10-19-16(20-15)21-14-7-5-13(18)6-8-14/h1-10H.
What are the key properties of 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine?
4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine has a molecular weight of 300.72 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 1487612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).