5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine

C12H16F4N2 — CID 14112676

IUPAC5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCCCCCc1nc(C)nc(C(F)(F)F)c1F
InChIInChI=1S/C12H16F4N2/c1-3-4-5-6-7-9-10(13)11(12(14,15)16)18-8(2)17-9/h3-7H2,1-2H3
InChIKeyCEVJQUQASTWADT-UHFFFAOYSA-N
MW264.27 g/mol
LogP4.07
Rot. Bonds5

About 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine

5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 14112676) has the molecular formula C12H16F4N2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID14112676
Molecular FormulaC12H16F4N2
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCCCCCc1nc(C)nc(C(F)(F)F)c1F
InChIInChI=1S/C12H16F4N2/c1-3-4-5-6-7-9-10(13)11(12(14,15)16)18-8(2)17-9/h3-7H2,1-2H3
InChIKeyCEVJQUQASTWADT-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine (CID 14112676) is 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine is CCCCCCc1nc(C)nc(C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CEVJQUQASTWADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2/c1-3-4-5-6-7-9-10(13)11(12(14,15)16)18-8(2)17-9/h3-7H2,1-2H3.
What are the key properties of 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine?
5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 264.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 14112676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).