5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine

C7F10N2 — CID 15395099

IUPAC5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
SMILESFc1c(C(F)(F)F)nc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C7F10N2/c8-1-2(5(9,10)11)18-4(7(15,16)17)19-3(1)6(12,13)14
InChIKeyTXEKTKXIQSVDCO-UHFFFAOYSA-N
MW302.07 g/mol
LogP3.67
Rot. Bonds

About 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine

5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine (PubChem CID 15395099) has the molecular formula C7F10N2 and a molecular weight of 302.07 g/mol. Its IUPAC name is 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
PubChem CID15395099
Molecular FormulaC7F10N2
Molecular Weight302.07 g/mol
Exact Mass301.99
IUPAC Name5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
SMILESFc1c(C(F)(F)F)nc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C7F10N2/c8-1-2(5(9,10)11)18-4(7(15,16)17)19-3(1)6(12,13)14
InChIKeyTXEKTKXIQSVDCO-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine?
The IUPAC name of 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine (CID 15395099) is 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine is Fc1c(C(F)(F)F)nc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine?
The InChIKey is TXEKTKXIQSVDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F10N2/c8-1-2(5(9,10)11)18-4(7(15,16)17)19-3(1)6(12,13)14.
What are the key properties of 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine?
5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine has a molecular weight of 302.07 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15395099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).