2,5-dichloro-4,6-difluoropyrimidine

C4Cl2F2N2 — CID 14047565

IUPAC2,5-dichloro-4,6-difluoropyrimidine
SMILESFc1nc(Cl)nc(F)c1Cl
InChIInChI=1S/C4Cl2F2N2/c5-1-2(7)9-4(6)10-3(1)8
InChIKeyLRTVASZRVUNBAP-UHFFFAOYSA-N
MW184.96 g/mol
LogP2.06
Rot. Bonds

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

2,5-dichloro-4,6-difluoropyrimidine (PubChem CID 14047565) has the molecular formula C4Cl2F2N2 and a molecular weight of 184.96 g/mol. Its IUPAC name is 2,5-dichloro-4,6-difluoropyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4,6-difluoropyrimidine
PubChem CID14047565
Molecular FormulaC4Cl2F2N2
Molecular Weight184.96 g/mol
Exact Mass183.94
IUPAC Name2,5-dichloro-4,6-difluoropyrimidine
SMILESFc1nc(Cl)nc(F)c1Cl
InChIInChI=1S/C4Cl2F2N2/c5-1-2(7)9-4(6)10-3(1)8
InChIKeyLRTVASZRVUNBAP-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 2,5-dichloro-4,6-difluoropyrimidine?
The IUPAC name of 2,5-dichloro-4,6-difluoropyrimidine (CID 14047565) is 2,5-dichloro-4,6-difluoropyrimidine.
What is the SMILES notation for 2,5-dichloro-4,6-difluoropyrimidine?
The canonical SMILES for 2,5-dichloro-4,6-difluoropyrimidine is Fc1nc(Cl)nc(F)c1Cl.
What is the InChIKey of 2,5-dichloro-4,6-difluoropyrimidine?
The InChIKey is LRTVASZRVUNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F2N2/c5-1-2(7)9-4(6)10-3(1)8.
What are the key properties of 2,5-dichloro-4,6-difluoropyrimidine?
2,5-dichloro-4,6-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 2,5-dichloro-4,6-difluoropyrimidine is sourced from PubChem (CID 14047565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).