1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one

C19H15F5N2O2 — CID 46036261

IUPAC1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F5N2O2/c1-11-17(27)26(16-7-6-14(20)10-15(16)21)9-8-25(11)18(28)12-2-4-13(5-3-12)19(22,23)24/h2-7,10-11H,8-9H2,1H3
InChIKeyRFEYMXYPOOTVRR-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.86
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one

1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (PubChem CID 46036261) has the molecular formula C19H15F5N2O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
PubChem CID46036261
Molecular FormulaC19H15F5N2O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC Name1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F5N2O2/c1-11-17(27)26(16-7-6-14(20)10-15(16)21)9-8-25(11)18(28)12-2-4-13(5-3-12)19(22,23)24/h2-7,10-11H,8-9H2,1H3
InChIKeyRFEYMXYPOOTVRR-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3240795

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (CID 46036261) is 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one is CC1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The InChIKey is RFEYMXYPOOTVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O2/c1-11-17(27)26(16-7-6-14(20)10-15(16)21)9-8-25(11)18(28)12-2-4-13(5-3-12)19(22,23)24/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one has a molecular weight of 398.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 46036261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).