2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine

C16H9F3N2O2 — CID 177342731

IUPAC2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine
SMILESFc1cnc(Oc2cccc(Oc3ccc(F)cc3F)c2)nc1
InChIInChI=1S/C16H9F3N2O2/c17-10-4-5-15(14(19)6-10)22-12-2-1-3-13(7-12)23-16-20-8-11(18)9-21-16/h1-9H
InChIKeyLTQCCHNLWDKCKZ-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.48
Rot. Bonds4

About 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine

2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine (PubChem CID 177342731) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine
PubChem CID177342731
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine
SMILESFc1cnc(Oc2cccc(Oc3ccc(F)cc3F)c2)nc1
InChIInChI=1S/C16H9F3N2O2/c17-10-4-5-15(14(19)6-10)22-12-2-1-3-13(7-12)23-16-20-8-11(18)9-21-16/h1-9H
InChIKeyLTQCCHNLWDKCKZ-UHFFFAOYSA-N
XLogP4.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

5-Fluoro-2-(1-(6-(3-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 25026690
2-(2,4-Difluorophenoxy)pyrimidine
CID 610284
2,4-Diphenoxypyrimidine
CID 3008436
2-Phenoxypyrimidine
CID 5324768
5-Fluoro-2-{4-[3-(4-fluoro-phenoxy)-propyl]-piperazin-1-yl}-pyrimidine
CID 20068655
5-Bromo-2-(3-methoxyphenoxy)pyrimidine
CID 63867980
5-Phenoxypyrimidine
CID 76850150
2-{[4-(3-Phenoxyphenoxy)butyl]thio}pyrimidine
CID 2199242
2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide
CID 2348112
2,4-Bis(4-methoxyphenoxy)pyrimidine
CID 3008438
5-Methyl-2,4-bis(4-methylphenoxy)pyrimidine
CID 3008443
2,4-Bis(4-methoxyphenoxy)-5-methyl-pyrimidine
CID 3008444

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine?
The IUPAC name of 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine (CID 177342731) is 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine.
What is the SMILES notation for 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine?
The canonical SMILES for 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine is Fc1cnc(Oc2cccc(Oc3ccc(F)cc3F)c2)nc1.
What is the InChIKey of 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine?
The InChIKey is LTQCCHNLWDKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-10-4-5-15(14(19)6-10)22-12-2-1-3-13(7-12)23-16-20-8-11(18)9-21-16/h1-9H.
What are the key properties of 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine?
2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine has a molecular weight of 318.25 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenoxy)phenoxy]-5-fluoropyrimidine is sourced from PubChem (CID 177342731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).