4-chloro-6-(2,2-difluoroethoxy)pyrimidine

C6H5ClF2N2O — CID 82003754

IUPAC4-chloro-6-(2,2-difluoroethoxy)pyrimidine
SMILESFC(F)COc1cc(Cl)ncn1
InChIInChI=1S/C6H5ClF2N2O/c7-4-1-6(11-3-10-4)12-2-5(8)9/h1,3,5H,2H2
InChIKeyWZVQSENFTRTSGF-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.77
Rot. Bonds3

About 4-chloro-6-(2,2-difluoroethoxy)pyrimidine

4-chloro-6-(2,2-difluoroethoxy)pyrimidine (PubChem CID 82003754) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 4-chloro-6-(2,2-difluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2-difluoroethoxy)pyrimidine
PubChem CID82003754
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name4-chloro-6-(2,2-difluoroethoxy)pyrimidine
SMILESFC(F)COc1cc(Cl)ncn1
InChIInChI=1S/C6H5ClF2N2O/c7-4-1-6(11-3-10-4)12-2-5(8)9/h1,3,5H,2H2
InChIKeyWZVQSENFTRTSGF-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2-difluoroethoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2,2-difluoroethoxy)pyrimidine (CID 82003754) is 4-chloro-6-(2,2-difluoroethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2-difluoroethoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,2-difluoroethoxy)pyrimidine is FC(F)COc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2,2-difluoroethoxy)pyrimidine?
The InChIKey is WZVQSENFTRTSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-4-1-6(11-3-10-4)12-2-5(8)9/h1,3,5H,2H2.
What are the key properties of 4-chloro-6-(2,2-difluoroethoxy)pyrimidine?
4-chloro-6-(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 4-chloro-6-(2,2-difluoroethoxy)pyrimidine is sourced from PubChem (CID 82003754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).