2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine

C6H4Cl2F2N2O — CID 82004254

IUPAC2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine
SMILESFC(F)COc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H4Cl2F2N2O/c7-3-1-11-6(8)12-5(3)13-2-4(9)10/h1,4H,2H2
InChIKeyIRNLHKCHZSLPER-UHFFFAOYSA-N
MW229.01 g/mol
LogP2.43
Rot. Bonds3

About 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine

2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine (PubChem CID 82004254) has the molecular formula C6H4Cl2F2N2O and a molecular weight of 229.01 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine
PubChem CID82004254
Molecular FormulaC6H4Cl2F2N2O
Molecular Weight229.01 g/mol
Exact Mass227.97
IUPAC Name2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine
SMILESFC(F)COc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H4Cl2F2N2O/c7-3-1-11-6(8)12-5(3)13-2-4(9)10/h1,4H,2H2
InChIKeyIRNLHKCHZSLPER-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.01
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine (CID 82004254) is 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine is FC(F)COc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine?
The InChIKey is IRNLHKCHZSLPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2N2O/c7-3-1-11-6(8)12-5(3)13-2-4(9)10/h1,4H,2H2.
What are the key properties of 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine?
2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine has a molecular weight of 229.01 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,2-difluoroethoxy)pyrimidine is sourced from PubChem (CID 82004254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).