4-phenyl-2-(trifluoromethyl)pyrimidine

C11H7F3N2 — CID 56956173

IUPAC4-phenyl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H7F3N2/c12-11(13,14)10-15-7-6-9(16-10)8-4-2-1-3-5-8/h1-7H
InChIKeyLBXJNAZJQSUIHC-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.16
Rot. Bonds1

About 4-phenyl-2-(trifluoromethyl)pyrimidine

4-phenyl-2-(trifluoromethyl)pyrimidine (PubChem CID 56956173) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 4-phenyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-(trifluoromethyl)pyrimidine
PubChem CID56956173
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name4-phenyl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H7F3N2/c12-11(13,14)10-15-7-6-9(16-10)8-4-2-1-3-5-8/h1-7H
InChIKeyLBXJNAZJQSUIHC-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-phenyl-2-(trifluoromethyl)pyrimidine (CID 56956173) is 4-phenyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-phenyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-phenyl-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is LBXJNAZJQSUIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c12-11(13,14)10-15-7-6-9(16-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-phenyl-2-(trifluoromethyl)pyrimidine?
4-phenyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 224.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56956173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).