1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione

C12H10F3NO2 — CID 117013796

IUPAC1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione
SMILESO=C1CCCN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)8-4-1-2-5-9(8)16-7-3-6-10(17)11(16)18/h1-2,4-5H,3,6-7H2
InChIKeyDMVZRXYUGAHTNL-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.40
Rot. Bonds1

About 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione

1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione (PubChem CID 117013796) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione
PubChem CID117013796
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione
SMILESO=C1CCCN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)8-4-1-2-5-9(8)16-7-3-6-10(17)11(16)18/h1-2,4-5H,3,6-7H2
InChIKeyDMVZRXYUGAHTNL-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 117014136
(3R)-3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 97300292
1-[2-[2,5-dideuterio-4-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176589252
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188578
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519
7-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-benzodiazepin-2-one
CID 110172629
4-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168509216
1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609152
17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 4158959
(15S,19R)-17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1047514
2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 130470114
6-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 123458657

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione (CID 117013796) is 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione is O=C1CCCN(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione?
The InChIKey is DMVZRXYUGAHTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)8-4-1-2-5-9(8)16-7-3-6-10(17)11(16)18/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione?
1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione has a molecular weight of 257.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione is sourced from PubChem (CID 117013796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).