4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine

C5HClF4N2 — CID 19842656

IUPAC4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine
SMILESFc1nc(F)c(C(F)F)c(Cl)n1
InChIInChI=1S/C5HClF4N2/c6-2-1(3(7)8)4(9)12-5(10)11-2/h3H
InChIKeyXTSJDLYPECYTDK-UHFFFAOYSA-N
MW200.52 g/mol
LogP2.35
Rot. Bonds1

About 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine

4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine (PubChem CID 19842656) has the molecular formula C5HClF4N2 and a molecular weight of 200.52 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine
PubChem CID19842656
Molecular FormulaC5HClF4N2
Molecular Weight200.52 g/mol
Exact Mass199.98
IUPAC Name4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine
SMILESFc1nc(F)c(C(F)F)c(Cl)n1
InChIInChI=1S/C5HClF4N2/c6-2-1(3(7)8)4(9)12-5(10)11-2/h3H
InChIKeyXTSJDLYPECYTDK-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.52
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine 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-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine?
The IUPAC name of 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine (CID 19842656) is 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine is Fc1nc(F)c(C(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine?
The InChIKey is XTSJDLYPECYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF4N2/c6-2-1(3(7)8)4(9)12-5(10)11-2/h3H.
What are the key properties of 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine?
4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine has a molecular weight of 200.52 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-2,6-difluoropyrimidine is sourced from PubChem (CID 19842656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).