2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine

C7H5Cl2F3N2 — CID 165402856

IUPAC2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1cnc(Cl)nc1Cl
InChIInChI=1S/C7H5Cl2F3N2/c8-5-4(1-2-7(10,11)12)3-13-6(9)14-5/h3H,1-2H2
InChIKeyKKYXRFNHVJRJOM-UHFFFAOYSA-N
MW245.03 g/mol
LogP3.28
Rot. Bonds2

About 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine

2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 165402856) has the molecular formula C7H5Cl2F3N2 and a molecular weight of 245.03 g/mol. Its IUPAC name is 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID165402856
Molecular FormulaC7H5Cl2F3N2
Molecular Weight245.03 g/mol
Exact Mass243.98
IUPAC Name2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1cnc(Cl)nc1Cl
InChIInChI=1S/C7H5Cl2F3N2/c8-5-4(1-2-7(10,11)12)3-13-6(9)14-5/h3H,1-2H2
InChIKeyKKYXRFNHVJRJOM-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-5-(3,3,3-trifluoropropyl)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 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine (CID 165402856) is 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine is FC(F)(F)CCc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is KKYXRFNHVJRJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2/c8-5-4(1-2-7(10,11)12)3-13-6(9)14-5/h3H,1-2H2.
What are the key properties of 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine?
2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 245.03 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 165402856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).