5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine

C6H5ClF2N2 — CID 18982864

IUPAC5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1ncnc(F)c1Cl
InChIInChI=1S/C6H5ClF2N2/c1-3(8)5-4(7)6(9)11-2-10-5/h2-3H,1H3
InChIKeyWXGZOVYKUXSGEZ-UHFFFAOYSA-N
MW178.57 g/mol
LogP2.30
Rot. Bonds1

About 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine

5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine (PubChem CID 18982864) has the molecular formula C6H5ClF2N2 and a molecular weight of 178.57 g/mol. Its IUPAC name is 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine
PubChem CID18982864
Molecular FormulaC6H5ClF2N2
Molecular Weight178.57 g/mol
Exact Mass178.01
IUPAC Name5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1ncnc(F)c1Cl
InChIInChI=1S/C6H5ClF2N2/c1-3(8)5-4(7)6(9)11-2-10-5/h2-3H,1H3
InChIKeyWXGZOVYKUXSGEZ-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine?
The IUPAC name of 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine (CID 18982864) is 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine?
The canonical SMILES for 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine is CC(F)c1ncnc(F)c1Cl.
What is the InChIKey of 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine?
The InChIKey is WXGZOVYKUXSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2/c1-3(8)5-4(7)6(9)11-2-10-5/h2-3H,1H3.
What are the key properties of 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine?
5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine has a molecular weight of 178.57 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine is sourced from PubChem (CID 18982864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).