4,5,6-trifluoropyrimidine

C4HF3N2 — CID 3572764

IUPAC4,5,6-trifluoropyrimidine
SMILESFc1ncnc(F)c1F
InChIInChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKeyAQKOJKCYBNUFLU-UHFFFAOYSA-N
MW134.06 g/mol
LogP0.89
Rot. Bonds

About 4,5,6-trifluoropyrimidine

4,5,6-trifluoropyrimidine (PubChem CID 3572764) has the molecular formula C4HF3N2 and a molecular weight of 134.06 g/mol. Its IUPAC name is 4,5,6-trifluoropyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoropyrimidine
PubChem CID3572764
Molecular FormulaC4HF3N2
Molecular Weight134.06 g/mol
Exact Mass134.01
IUPAC Name4,5,6-trifluoropyrimidine
SMILESFc1ncnc(F)c1F
InChIInChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKeyAQKOJKCYBNUFLU-UHFFFAOYSA-N
XLogP0.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.06
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoropyrimidine?
The IUPAC name of 4,5,6-trifluoropyrimidine (CID 3572764) is 4,5,6-trifluoropyrimidine.
What is the SMILES notation for 4,5,6-trifluoropyrimidine?
The canonical SMILES for 4,5,6-trifluoropyrimidine is Fc1ncnc(F)c1F.
What is the InChIKey of 4,5,6-trifluoropyrimidine?
The InChIKey is AQKOJKCYBNUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H.
What are the key properties of 4,5,6-trifluoropyrimidine?
4,5,6-trifluoropyrimidine has a molecular weight of 134.06 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoropyrimidine is sourced from PubChem (CID 3572764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).