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

C6H6ClFN2 — CID 83854100

IUPAC4-chloro-6-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1cc(Cl)ncn1
InChIInChI=1S/C6H6ClFN2/c1-4(8)5-2-6(7)10-3-9-5/h2-4H,1H3
InChIKeyLMPUJHHUDOCIEO-UHFFFAOYSA-N
MW160.58 g/mol
LogP2.16
Rot. Bonds1

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

4-chloro-6-(1-fluoroethyl)pyrimidine (PubChem CID 83854100) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-chloro-6-(1-fluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-fluoroethyl)pyrimidine
PubChem CID83854100
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-chloro-6-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1cc(Cl)ncn1
InChIInChI=1S/C6H6ClFN2/c1-4(8)5-2-6(7)10-3-9-5/h2-4H,1H3
InChIKeyLMPUJHHUDOCIEO-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-fluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-fluoroethyl)pyrimidine (CID 83854100) is 4-chloro-6-(1-fluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-fluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-fluoroethyl)pyrimidine is CC(F)c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(1-fluoroethyl)pyrimidine?
The InChIKey is LMPUJHHUDOCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-4(8)5-2-6(7)10-3-9-5/h2-4H,1H3.
What are the key properties of 4-chloro-6-(1-fluoroethyl)pyrimidine?
4-chloro-6-(1-fluoroethyl)pyrimidine has a molecular weight of 160.58 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-fluoroethyl)pyrimidine is sourced from PubChem (CID 83854100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).