3-(4-chloro-2-fluorophenyl)piperazin-2-one

C10H10ClFN2O — CID 114859928

IUPAC3-(4-chloro-2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O/c11-6-1-2-7(8(12)5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15)
InChIKeyTVAOASIXPJKYHZ-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.24
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)piperazin-2-one

3-(4-chloro-2-fluorophenyl)piperazin-2-one (PubChem CID 114859928) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)piperazin-2-one
PubChem CID114859928
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name3-(4-chloro-2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O/c11-6-1-2-7(8(12)5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15)
InChIKeyTVAOASIXPJKYHZ-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenyl)piperazin-2-one
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2-(4-chloro-2-fluorophenyl)azetidine
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3-(2,6-dichlorophenyl)piperazin-2-one
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2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
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(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
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3-(2-cyclopropylphenyl)piperazin-2-one
CID 79982593
3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 103052236
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
(3S)-3-(3-methylphenyl)piperazin-2-one
CID 55252949
3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one
CID 82296453

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)piperazin-2-one?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)piperazin-2-one (CID 114859928) is 3-(4-chloro-2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)piperazin-2-one is O=C1NCCNC1c1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)piperazin-2-one?
The InChIKey is TVAOASIXPJKYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-6-1-2-7(8(12)5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15).
What are the key properties of 3-(4-chloro-2-fluorophenyl)piperazin-2-one?
3-(4-chloro-2-fluorophenyl)piperazin-2-one has a molecular weight of 228.65 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 114859928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).