2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone

C11H12ClFN2O — CID 159350552

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone
SMILESO=C(Cc1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H12ClFN2O/c12-11-14-6-8(13)9(15-11)5-10(16)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyXVEHFTLOKMILFP-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone

2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone (PubChem CID 159350552) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone
PubChem CID159350552
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone
SMILESO=C(Cc1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H12ClFN2O/c12-11-14-6-8(13)9(15-11)5-10(16)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyXVEHFTLOKMILFP-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone (CID 159350552) is 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone is O=C(Cc1nc(Cl)ncc1F)C1CCCC1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone?
The InChIKey is XVEHFTLOKMILFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-11-14-6-8(13)9(15-11)5-10(16)7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone?
2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone has a molecular weight of 242.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopentylethanone is sourced from PubChem (CID 159350552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).