2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine

C15H8ClF3N2 — CID 112693753

IUPAC2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc(Cl)n1
InChIInChI=1S/C15H8ClF3N2/c16-14-20-12(8-13(21-14)15(17,18)19)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyBRAOEZVRUKIJRM-UHFFFAOYSA-N
MW308.69 g/mol
LogP4.97
Rot. Bonds1

About 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine

2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 112693753) has the molecular formula C15H8ClF3N2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID112693753
Molecular FormulaC15H8ClF3N2
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc(Cl)n1
InChIInChI=1S/C15H8ClF3N2/c16-14-20-12(8-13(21-14)15(17,18)19)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyBRAOEZVRUKIJRM-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-naphthalen-2-yl-6-(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 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine (CID 112693753) is 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is BRAOEZVRUKIJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2/c16-14-20-12(8-13(21-14)15(17,18)19)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 308.69 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 112693753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).