4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one

C12H10ClF3N2O2 — CID 67989663

IUPAC4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1
InChIInChI=1S/C12H10ClF3N2O2/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)18-4-3-17-10(19)6-18/h1-2,5H,3-4,6H2,(H,17,19)
InChIKeyWNZIZZJUFUWGQP-UHFFFAOYSA-N
MW306.67 g/mol
LogP1.93
Rot. Bonds1

About 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one

4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one (PubChem CID 67989663) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one
PubChem CID67989663
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1
InChIInChI=1S/C12H10ClF3N2O2/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)18-4-3-17-10(19)6-18/h1-2,5H,3-4,6H2,(H,17,19)
InChIKeyWNZIZZJUFUWGQP-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one (CID 67989663) is 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one is O=C1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one?
The InChIKey is WNZIZZJUFUWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)18-4-3-17-10(19)6-18/h1-2,5H,3-4,6H2,(H,17,19).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one?
4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one has a molecular weight of 306.67 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 67989663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).