4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine

C5HClF4N2 — CID 118799997

IUPAC4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine
SMILESFc1ncnc(Cl)c1C(F)(F)F
InChIInChI=1S/C5HClF4N2/c6-3-2(5(8,9)10)4(7)12-1-11-3/h1H
InChIKeyFKRZJVJGLGSWEI-UHFFFAOYSA-N
MW200.52 g/mol
LogP2.29
Rot. Bonds

About 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine

4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine (PubChem CID 118799997) has the molecular formula C5HClF4N2 and a molecular weight of 200.52 g/mol. Its IUPAC name is 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine
PubChem CID118799997
Molecular FormulaC5HClF4N2
Molecular Weight200.52 g/mol
Exact Mass199.98
IUPAC Name4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine
SMILESFc1ncnc(Cl)c1C(F)(F)F
InChIInChI=1S/C5HClF4N2/c6-3-2(5(8,9)10)4(7)12-1-11-3/h1H
InChIKeyFKRZJVJGLGSWEI-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.52
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine (CID 118799997) is 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine is Fc1ncnc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine?
The InChIKey is FKRZJVJGLGSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF4N2/c6-3-2(5(8,9)10)4(7)12-1-11-3/h1H.
What are the key properties of 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine?
4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine has a molecular weight of 200.52 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118799997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).