4-(2-chlorophenoxy)-5,6-difluoropyrimidine

C10H5ClF2N2O — CID 11053843

IUPAC4-(2-chlorophenoxy)-5,6-difluoropyrimidine
SMILESFc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C10H5ClF2N2O/c11-6-3-1-2-4-7(6)16-10-8(12)9(13)14-5-15-10/h1-5H
InChIKeyTUMMSDXQXXRRDI-UHFFFAOYSA-N
MW242.61 g/mol
LogP3.20
Rot. Bonds2

About 4-(2-chlorophenoxy)-5,6-difluoropyrimidine

4-(2-chlorophenoxy)-5,6-difluoropyrimidine (PubChem CID 11053843) has the molecular formula C10H5ClF2N2O and a molecular weight of 242.61 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-5,6-difluoropyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-5,6-difluoropyrimidine
PubChem CID11053843
Molecular FormulaC10H5ClF2N2O
Molecular Weight242.61 g/mol
Exact Mass242.01
IUPAC Name4-(2-chlorophenoxy)-5,6-difluoropyrimidine
SMILESFc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C10H5ClF2N2O/c11-6-3-1-2-4-7(6)16-10-8(12)9(13)14-5-15-10/h1-5H
InChIKeyTUMMSDXQXXRRDI-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-5,6-difluoropyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-5,6-difluoropyrimidine (CID 11053843) is 4-(2-chlorophenoxy)-5,6-difluoropyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-5,6-difluoropyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-5,6-difluoropyrimidine is Fc1ncnc(Oc2ccccc2Cl)c1F.
What is the InChIKey of 4-(2-chlorophenoxy)-5,6-difluoropyrimidine?
The InChIKey is TUMMSDXQXXRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O/c11-6-3-1-2-4-7(6)16-10-8(12)9(13)14-5-15-10/h1-5H.
What are the key properties of 4-(2-chlorophenoxy)-5,6-difluoropyrimidine?
4-(2-chlorophenoxy)-5,6-difluoropyrimidine has a molecular weight of 242.61 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-5,6-difluoropyrimidine is sourced from PubChem (CID 11053843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).