2-chloro-5-(2-fluoroethoxy)pyrimidine

C6H6ClFN2O — CID 118939585

IUPAC2-chloro-5-(2-fluoroethoxy)pyrimidine
SMILESFCCOc1cnc(Cl)nc1
InChIInChI=1S/C6H6ClFN2O/c7-6-9-3-5(4-10-6)11-2-1-8/h3-4H,1-2H2
InChIKeyRLMKBLTUIIPAGJ-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.48
Rot. Bonds3

About 2-chloro-5-(2-fluoroethoxy)pyrimidine

2-chloro-5-(2-fluoroethoxy)pyrimidine (PubChem CID 118939585) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-fluoroethoxy)pyrimidine
PubChem CID118939585
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name2-chloro-5-(2-fluoroethoxy)pyrimidine
SMILESFCCOc1cnc(Cl)nc1
InChIInChI=1S/C6H6ClFN2O/c7-6-9-3-5(4-10-6)11-2-1-8/h3-4H,1-2H2
InChIKeyRLMKBLTUIIPAGJ-UHFFFAOYSA-N
XLogP1.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoroethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-(2-fluoroethoxy)pyrimidine (CID 118939585) is 2-chloro-5-(2-fluoroethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(2-fluoroethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(2-fluoroethoxy)pyrimidine is FCCOc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(2-fluoroethoxy)pyrimidine?
The InChIKey is RLMKBLTUIIPAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c7-6-9-3-5(4-10-6)11-2-1-8/h3-4H,1-2H2.
What are the key properties of 2-chloro-5-(2-fluoroethoxy)pyrimidine?
2-chloro-5-(2-fluoroethoxy)pyrimidine has a molecular weight of 176.58 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-fluoroethoxy)pyrimidine is sourced from PubChem (CID 118939585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).