1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione

C12H9ClF3NO2 — CID 79515454

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione
SMILESO=C1CCN(c2ccc(C(F)(F)F)cc2Cl)C(=O)C1
InChIInChI=1S/C12H9ClF3NO2/c13-9-5-7(12(14,15)16)1-2-10(9)17-4-3-8(18)6-11(17)19/h1-2,5H,3-4,6H2
InChIKeyDYAQLZQUWWGXAX-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.05
Rot. Bonds1

About 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione

1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione (PubChem CID 79515454) has the molecular formula C12H9ClF3NO2 and a molecular weight of 291.66 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione
PubChem CID79515454
Molecular FormulaC12H9ClF3NO2
Molecular Weight291.66 g/mol
Exact Mass291.03
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione
SMILESO=C1CCN(c2ccc(C(F)(F)F)cc2Cl)C(=O)C1
InChIInChI=1S/C12H9ClF3NO2/c13-9-5-7(12(14,15)16)1-2-10(9)17-4-3-8(18)6-11(17)19/h1-2,5H,3-4,6H2
InChIKeyDYAQLZQUWWGXAX-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]piperidine-2,4-dione
CID 79517892
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956068
3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
2-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 14231213
1-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502351
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-4-one
CID 63668791
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-ethylpiperazine-2,5-dione
CID 64971404
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
CID 90840814
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64961356
1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1-benzazocine-2,4-dione
CID 164678078
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione (CID 79515454) is 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione is O=C1CCN(c2ccc(C(F)(F)F)cc2Cl)C(=O)C1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione?
The InChIKey is DYAQLZQUWWGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO2/c13-9-5-7(12(14,15)16)1-2-10(9)17-4-3-8(18)6-11(17)19/h1-2,5H,3-4,6H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione?
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione has a molecular weight of 291.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione is sourced from PubChem (CID 79515454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).