2,4-difluoro-5-(trifluoromethyl)pyrimidine

C5HF5N2 — CID 11116707

IUPAC2,4-difluoro-5-(trifluoromethyl)pyrimidine
SMILESFc1ncc(C(F)(F)F)c(F)n1
InChIInChI=1S/C5HF5N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKeyYXYCPKOAGWDZKX-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.77
Rot. Bonds

About 2,4-difluoro-5-(trifluoromethyl)pyrimidine

2,4-difluoro-5-(trifluoromethyl)pyrimidine (PubChem CID 11116707) has the molecular formula C5HF5N2 and a molecular weight of 184.07 g/mol. Its IUPAC name is 2,4-difluoro-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4-difluoro-5-(trifluoromethyl)pyrimidine
PubChem CID11116707
Molecular FormulaC5HF5N2
Molecular Weight184.07 g/mol
Exact Mass184.01
IUPAC Name2,4-difluoro-5-(trifluoromethyl)pyrimidine
SMILESFc1ncc(C(F)(F)F)c(F)n1
InChIInChI=1S/C5HF5N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKeyYXYCPKOAGWDZKX-UHFFFAOYSA-N
XLogP1.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4-difluoro-5-(trifluoromethyl)pyrimidine (CID 11116707) is 2,4-difluoro-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4-difluoro-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4-difluoro-5-(trifluoromethyl)pyrimidine is Fc1ncc(C(F)(F)F)c(F)n1.
What is the InChIKey of 2,4-difluoro-5-(trifluoromethyl)pyrimidine?
The InChIKey is YXYCPKOAGWDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF5N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H.
What are the key properties of 2,4-difluoro-5-(trifluoromethyl)pyrimidine?
2,4-difluoro-5-(trifluoromethyl)pyrimidine has a molecular weight of 184.07 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11116707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).