4-fluoropyrimidine

C4H3FN2 — CID 19595920

IUPAC4-fluoropyrimidine
SMILESFc1ccncn1
InChIInChI=1S/C4H3FN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKeyZBCSZYVDLLOFMU-UHFFFAOYSA-N
MW98.08 g/mol
LogP0.62
Rot. Bonds

About 4-fluoropyrimidine

4-fluoropyrimidine (PubChem CID 19595920) has the molecular formula C4H3FN2 and a molecular weight of 98.08 g/mol. Its IUPAC name is 4-fluoropyrimidine.

Molecular Properties

Compound Name4-fluoropyrimidine
PubChem CID19595920
Molecular FormulaC4H3FN2
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Name4-fluoropyrimidine
SMILESFc1ccncn1
InChIInChI=1S/C4H3FN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKeyZBCSZYVDLLOFMU-UHFFFAOYSA-N
XLogP0.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropyrimidine?
The IUPAC name of 4-fluoropyrimidine (CID 19595920) is 4-fluoropyrimidine.
What is the SMILES notation for 4-fluoropyrimidine?
The canonical SMILES for 4-fluoropyrimidine is Fc1ccncn1.
What is the InChIKey of 4-fluoropyrimidine?
The InChIKey is ZBCSZYVDLLOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2/c5-4-1-2-6-3-7-4/h1-3H.
What are the key properties of 4-fluoropyrimidine?
4-fluoropyrimidine has a molecular weight of 98.08 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropyrimidine is sourced from PubChem (CID 19595920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).