2,4,5-tris(fluoromethyl)pyrimidine

C7H7F3N2 — CID 172695350

IUPAC2,4,5-tris(fluoromethyl)pyrimidine
SMILESFCc1ncc(CF)c(CF)n1
InChIInChI=1S/C7H7F3N2/c8-1-5-4-11-7(3-10)12-6(5)2-9/h4H,1-3H2
InChIKeyCGAWCXTUDZJFDM-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.89
Rot. Bonds3

About 2,4,5-tris(fluoromethyl)pyrimidine

2,4,5-tris(fluoromethyl)pyrimidine (PubChem CID 172695350) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 2,4,5-tris(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4,5-tris(fluoromethyl)pyrimidine
PubChem CID172695350
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name2,4,5-tris(fluoromethyl)pyrimidine
SMILESFCc1ncc(CF)c(CF)n1
InChIInChI=1S/C7H7F3N2/c8-1-5-4-11-7(3-10)12-6(5)2-9/h4H,1-3H2
InChIKeyCGAWCXTUDZJFDM-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(fluoromethyl)pyrimidine?
The IUPAC name of 2,4,5-tris(fluoromethyl)pyrimidine (CID 172695350) is 2,4,5-tris(fluoromethyl)pyrimidine.
What is the SMILES notation for 2,4,5-tris(fluoromethyl)pyrimidine?
The canonical SMILES for 2,4,5-tris(fluoromethyl)pyrimidine is FCc1ncc(CF)c(CF)n1.
What is the InChIKey of 2,4,5-tris(fluoromethyl)pyrimidine?
The InChIKey is CGAWCXTUDZJFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-1-5-4-11-7(3-10)12-6(5)2-9/h4H,1-3H2.
What are the key properties of 2,4,5-tris(fluoromethyl)pyrimidine?
2,4,5-tris(fluoromethyl)pyrimidine has a molecular weight of 176.14 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(fluoromethyl)pyrimidine is sourced from PubChem (CID 172695350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).