(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone

C11H12ClFN2O — CID 16769233

IUPAC(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCNCC1
InChIInChI=1S/C11H12ClFN2O/c12-8-1-2-10(13)9(7-8)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKeyZSMRTVWEAIFCJF-UHFFFAOYSA-N
MW242.68 g/mol
LogP1.52
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone

(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone (PubChem CID 16769233) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
PubChem CID16769233
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCNCC1
InChIInChI=1S/C11H12ClFN2O/c12-8-1-2-10(13)9(7-8)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKeyZSMRTVWEAIFCJF-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone
CID 43088523
(4-chloro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82512015
(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119401952
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55716352

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone (CID 16769233) is (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone is O=C(c1cc(Cl)ccc1F)N1CCNCC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone?
The InChIKey is ZSMRTVWEAIFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-8-1-2-10(13)9(7-8)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2.
What are the key properties of (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone?
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone has a molecular weight of 242.68 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 16769233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).