5-(trifluoromethyl)pyrimidine

C5H3F3N2 — CID 15273573

IUPAC5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1
InChIInChI=1S/C5H3F3N2/c6-5(7,8)4-1-9-3-10-2-4/h1-3H
InChIKeyCPCHRGFQWZMVNX-UHFFFAOYSA-N
MW148.09 g/mol
LogP1.50
Rot. Bonds

About 5-(trifluoromethyl)pyrimidine

5-(trifluoromethyl)pyrimidine (PubChem CID 15273573) has the molecular formula C5H3F3N2 and a molecular weight of 148.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(trifluoromethyl)pyrimidine
PubChem CID15273573
Molecular FormulaC5H3F3N2
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1
InChIInChI=1S/C5H3F3N2/c6-5(7,8)4-1-9-3-10-2-4/h1-3H
InChIKeyCPCHRGFQWZMVNX-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(trifluoromethyl)pyrimidine (CID 15273573) is 5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cncnc1.
What is the InChIKey of 5-(trifluoromethyl)pyrimidine?
The InChIKey is CPCHRGFQWZMVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2/c6-5(7,8)4-1-9-3-10-2-4/h1-3H.
What are the key properties of 5-(trifluoromethyl)pyrimidine?
5-(trifluoromethyl)pyrimidine has a molecular weight of 148.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15273573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).