3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one

C9H8ClFN2O — CID 171660737

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one
SMILESO=C1CCC(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H8ClFN2O/c10-9-12-4-7(11)8(13-9)5-1-2-6(14)3-5/h4-5H,1-3H2
InChIKeySSYOAAHXMOZCJF-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.11
Rot. Bonds1

About 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one

3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one (PubChem CID 171660737) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one
PubChem CID171660737
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one
SMILESO=C1CCC(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H8ClFN2O/c10-9-12-4-7(11)8(13-9)5-1-2-6(14)3-5/h4-5H,1-3H2
InChIKeySSYOAAHXMOZCJF-UHFFFAOYSA-N
XLogP2.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one (CID 171660737) is 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one is O=C1CCC(c2nc(Cl)ncc2F)C1.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one?
The InChIKey is SSYOAAHXMOZCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c10-9-12-4-7(11)8(13-9)5-1-2-6(14)3-5/h4-5H,1-3H2.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one?
3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one has a molecular weight of 214.63 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoropyrimidin-4-yl)cyclopentan-1-one is sourced from PubChem (CID 171660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).