5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine

C11H7ClF2N2O — CID 14579701

IUPAC5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine
SMILESFC(F)c1ccccc1Oc1ncc(Cl)cn1
InChIInChI=1S/C11H7ClF2N2O/c12-7-5-15-11(16-6-7)17-9-4-2-1-3-8(9)10(13)14/h1-6,10H
InChIKeyVRRFDGDJEKPYES-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.86
Rot. Bonds3

About 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine

5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine (PubChem CID 14579701) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine
PubChem CID14579701
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine
SMILESFC(F)c1ccccc1Oc1ncc(Cl)cn1
InChIInChI=1S/C11H7ClF2N2O/c12-7-5-15-11(16-6-7)17-9-4-2-1-3-8(9)10(13)14/h1-6,10H
InChIKeyVRRFDGDJEKPYES-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[2-(difluoromethyl)phenoxy]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 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine (CID 14579701) is 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine is FC(F)c1ccccc1Oc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine?
The InChIKey is VRRFDGDJEKPYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-7-5-15-11(16-6-7)17-9-4-2-1-3-8(9)10(13)14/h1-6,10H.
What are the key properties of 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine?
5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine has a molecular weight of 256.64 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(difluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 14579701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).