2-chloro-5-(2,2-difluoroethoxy)pyrimidine

C6H5ClF2N2O — CID 155166631

IUPAC2-chloro-5-(2,2-difluoroethoxy)pyrimidine
SMILESFC(F)COc1cnc(Cl)nc1
InChIInChI=1S/C6H5ClF2N2O/c7-6-10-1-4(2-11-6)12-3-5(8)9/h1-2,5H,3H2
InChIKeyNNAQCZSCWWEHEQ-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.77
Rot. Bonds3

About 2-chloro-5-(2,2-difluoroethoxy)pyrimidine

2-chloro-5-(2,2-difluoroethoxy)pyrimidine (PubChem CID 155166631) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 2-chloro-5-(2,2-difluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2,2-difluoroethoxy)pyrimidine
PubChem CID155166631
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name2-chloro-5-(2,2-difluoroethoxy)pyrimidine
SMILESFC(F)COc1cnc(Cl)nc1
InChIInChI=1S/C6H5ClF2N2O/c7-6-10-1-4(2-11-6)12-3-5(8)9/h1-2,5H,3H2
InChIKeyNNAQCZSCWWEHEQ-UHFFFAOYSA-N
XLogP1.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(2,2-difluoroethoxy)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 2-chloro-5-(2,2-difluoroethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-(2,2-difluoroethoxy)pyrimidine (CID 155166631) is 2-chloro-5-(2,2-difluoroethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(2,2-difluoroethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(2,2-difluoroethoxy)pyrimidine is FC(F)COc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(2,2-difluoroethoxy)pyrimidine?
The InChIKey is NNAQCZSCWWEHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-6-10-1-4(2-11-6)12-3-5(8)9/h1-2,5H,3H2.
What are the key properties of 2-chloro-5-(2,2-difluoroethoxy)pyrimidine?
2-chloro-5-(2,2-difluoroethoxy)pyrimidine has a molecular weight of 194.57 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-difluoroethoxy)pyrimidine is sourced from PubChem (CID 155166631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).