5-fluoro-4-(trifluoromethyl)pyrimidine

C5H2F4N2 — CID 91431154

IUPAC5-fluoro-4-(trifluoromethyl)pyrimidine
SMILESFc1cncnc1C(F)(F)F
InChIInChI=1S/C5H2F4N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H
InChIKeyQZBWVWBMBWYOBU-UHFFFAOYSA-N
MW166.08 g/mol
LogP1.63
Rot. Bonds

About 5-fluoro-4-(trifluoromethyl)pyrimidine

5-fluoro-4-(trifluoromethyl)pyrimidine (PubChem CID 91431154) has the molecular formula C5H2F4N2 and a molecular weight of 166.08 g/mol. Its IUPAC name is 5-fluoro-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(trifluoromethyl)pyrimidine
PubChem CID91431154
Molecular FormulaC5H2F4N2
Molecular Weight166.08 g/mol
Exact Mass166.02
IUPAC Name5-fluoro-4-(trifluoromethyl)pyrimidine
SMILESFc1cncnc1C(F)(F)F
InChIInChI=1S/C5H2F4N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H
InChIKeyQZBWVWBMBWYOBU-UHFFFAOYSA-N
XLogP1.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-fluoro-4-(trifluoromethyl)pyrimidine (CID 91431154) is 5-fluoro-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-fluoro-4-(trifluoromethyl)pyrimidine is Fc1cncnc1C(F)(F)F.
What is the InChIKey of 5-fluoro-4-(trifluoromethyl)pyrimidine?
The InChIKey is QZBWVWBMBWYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H.
What are the key properties of 5-fluoro-4-(trifluoromethyl)pyrimidine?
5-fluoro-4-(trifluoromethyl)pyrimidine has a molecular weight of 166.08 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91431154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).