4,5-difluoropyrimidine

C4H2F2N2 — CID 18787571

IUPAC4,5-difluoropyrimidine
SMILESFc1cncnc1F
InChIInChI=1S/C4H2F2N2/c5-3-1-7-2-8-4(3)6/h1-2H
InChIKeyHCAMHLAFLLGEOQ-UHFFFAOYSA-N
MW116.07 g/mol
LogP0.75
Rot. Bonds

About 4,5-difluoropyrimidine

4,5-difluoropyrimidine (PubChem CID 18787571) has the molecular formula C4H2F2N2 and a molecular weight of 116.07 g/mol. Its IUPAC name is 4,5-difluoropyrimidine.

Molecular Properties

Compound Name4,5-difluoropyrimidine
PubChem CID18787571
Molecular FormulaC4H2F2N2
Molecular Weight116.07 g/mol
Exact Mass116.02
IUPAC Name4,5-difluoropyrimidine
SMILESFc1cncnc1F
InChIInChI=1S/C4H2F2N2/c5-3-1-7-2-8-4(3)6/h1-2H
InChIKeyHCAMHLAFLLGEOQ-UHFFFAOYSA-N
XLogP0.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoropyrimidine?
The IUPAC name of 4,5-difluoropyrimidine (CID 18787571) is 4,5-difluoropyrimidine.
What is the SMILES notation for 4,5-difluoropyrimidine?
The canonical SMILES for 4,5-difluoropyrimidine is Fc1cncnc1F.
What is the InChIKey of 4,5-difluoropyrimidine?
The InChIKey is HCAMHLAFLLGEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2/c5-3-1-7-2-8-4(3)6/h1-2H.
What are the key properties of 4,5-difluoropyrimidine?
4,5-difluoropyrimidine has a molecular weight of 116.07 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoropyrimidine is sourced from PubChem (CID 18787571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).