5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine

C5HCl4FN2 — CID 54399930

IUPAC5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine
SMILESFc1nc(C(Cl)(Cl)Cl)ncc1Cl
InChIInChI=1S/C5HCl4FN2/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H
InChIKeyBLVXKALHFWHJDC-UHFFFAOYSA-N
MW249.89 g/mol
LogP3.10
Rot. Bonds

About 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine

5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine (PubChem CID 54399930) has the molecular formula C5HCl4FN2 and a molecular weight of 249.89 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine
PubChem CID54399930
Molecular FormulaC5HCl4FN2
Molecular Weight249.89 g/mol
Exact Mass247.89
IUPAC Name5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine
SMILESFc1nc(C(Cl)(Cl)Cl)ncc1Cl
InChIInChI=1S/C5HCl4FN2/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H
InChIKeyBLVXKALHFWHJDC-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.89
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine?
The IUPAC name of 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine (CID 54399930) is 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine?
The canonical SMILES for 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine is Fc1nc(C(Cl)(Cl)Cl)ncc1Cl.
What is the InChIKey of 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine?
The InChIKey is BLVXKALHFWHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl4FN2/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H.
What are the key properties of 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine?
5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine has a molecular weight of 249.89 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine is sourced from PubChem (CID 54399930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).