4,6-dichloro-2,5-difluoropyrimidine

C4Cl2F2N2 — CID 13388992

IUPAC4,6-dichloro-2,5-difluoropyrimidine
SMILESFc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C4Cl2F2N2/c5-2-1(7)3(6)10-4(8)9-2
InChIKeyYEVUKVCNCYSUOK-UHFFFAOYSA-N
MW184.96 g/mol
LogP2.06
Rot. Bonds

About 4,6-dichloro-2,5-difluoropyrimidine

4,6-dichloro-2,5-difluoropyrimidine (PubChem CID 13388992) has the molecular formula C4Cl2F2N2 and a molecular weight of 184.96 g/mol. Its IUPAC name is 4,6-dichloro-2,5-difluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2,5-difluoropyrimidine
PubChem CID13388992
Molecular FormulaC4Cl2F2N2
Molecular Weight184.96 g/mol
Exact Mass183.94
IUPAC Name4,6-dichloro-2,5-difluoropyrimidine
SMILESFc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C4Cl2F2N2/c5-2-1(7)3(6)10-4(8)9-2
InChIKeyYEVUKVCNCYSUOK-UHFFFAOYSA-N
XLogP2.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.96
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,5-difluoropyrimidine?
The IUPAC name of 4,6-dichloro-2,5-difluoropyrimidine (CID 13388992) is 4,6-dichloro-2,5-difluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2,5-difluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2,5-difluoropyrimidine is Fc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2,5-difluoropyrimidine?
The InChIKey is YEVUKVCNCYSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F2N2/c5-2-1(7)3(6)10-4(8)9-2.
What are the key properties of 4,6-dichloro-2,5-difluoropyrimidine?
4,6-dichloro-2,5-difluoropyrimidine has a molecular weight of 184.96 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,5-difluoropyrimidine is sourced from PubChem (CID 13388992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).