4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine

C14H13F2NO — CID 165098349

IUPAC4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine
SMILESCC(C)c1cc(F)c(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C14H13F2NO/c1-9(2)13-7-12(16)14(8-17-13)18-11-5-3-10(15)4-6-11/h3-9H,1-2H3
InChIKeyKSTXCOJNQBCMBD-UHFFFAOYSA-N
MW249.26 g/mol
LogP4.28
Rot. Bonds3

About 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine

4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine (PubChem CID 165098349) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine
PubChem CID165098349
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine
SMILESCC(C)c1cc(F)c(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C14H13F2NO/c1-9(2)13-7-12(16)14(8-17-13)18-11-5-3-10(15)4-6-11/h3-9H,1-2H3
InChIKeyKSTXCOJNQBCMBD-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine 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 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine?
The IUPAC name of 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine (CID 165098349) is 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine.
What is the SMILES notation for 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine?
The canonical SMILES for 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine is CC(C)c1cc(F)c(Oc2ccc(F)cc2)cn1.
What is the InChIKey of 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine?
The InChIKey is KSTXCOJNQBCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9(2)13-7-12(16)14(8-17-13)18-11-5-3-10(15)4-6-11/h3-9H,1-2H3.
What are the key properties of 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine?
4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine has a molecular weight of 249.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine is sourced from PubChem (CID 165098349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).