4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine

C8H3F9N2 — CID 11130278

IUPAC4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(F)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H3F9N2/c1-2-18-4(6(10,11)8(15,16)17)3(5(9)19-2)7(12,13)14/h1H3
InChIKeyCDRONUTZMXUIND-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.60
Rot. Bonds1

About 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine

4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 11130278) has the molecular formula C8H3F9N2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
PubChem CID11130278
Molecular FormulaC8H3F9N2
Molecular Weight298.11 g/mol
Exact Mass298.02
IUPAC Name4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(F)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H3F9N2/c1-2-18-4(6(10,11)8(15,16)17)3(5(9)19-2)7(12,13)14/h1H3
InChIKeyCDRONUTZMXUIND-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine (CID 11130278) is 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine is Cc1nc(F)c(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is CDRONUTZMXUIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F9N2/c1-2-18-4(6(10,11)8(15,16)17)3(5(9)19-2)7(12,13)14/h1H3.
What are the key properties of 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 298.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11130278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).