5-ethenyl-2-(trifluoromethyl)pyrimidine

C7H5F3N2 — CID 66911647

IUPAC5-ethenyl-2-(trifluoromethyl)pyrimidine
SMILESC=Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F3N2/c1-2-5-3-11-6(12-4-5)7(8,9)10/h2-4H,1H2
InChIKeyPKHHGHLXDADSQO-UHFFFAOYSA-N
MW174.12 g/mol
LogP2.14
Rot. Bonds1

About 5-ethenyl-2-(trifluoromethyl)pyrimidine

5-ethenyl-2-(trifluoromethyl)pyrimidine (PubChem CID 66911647) has the molecular formula C7H5F3N2 and a molecular weight of 174.12 g/mol. Its IUPAC name is 5-ethenyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-(trifluoromethyl)pyrimidine
PubChem CID66911647
Molecular FormulaC7H5F3N2
Molecular Weight174.12 g/mol
Exact Mass174.04
IUPAC Name5-ethenyl-2-(trifluoromethyl)pyrimidine
SMILESC=Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F3N2/c1-2-5-3-11-6(12-4-5)7(8,9)10/h2-4H,1H2
InChIKeyPKHHGHLXDADSQO-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethenyl-2-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-ethenyl-2-(trifluoromethyl)pyrimidine (CID 66911647) is 5-ethenyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-ethenyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-ethenyl-2-(trifluoromethyl)pyrimidine is C=Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-ethenyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is PKHHGHLXDADSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2/c1-2-5-3-11-6(12-4-5)7(8,9)10/h2-4H,1H2.
What are the key properties of 5-ethenyl-2-(trifluoromethyl)pyrimidine?
5-ethenyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 174.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 66911647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).