3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one

C12H12F3NO2 — CID 43823856

IUPAC3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-4-2-1-3-8(9)7-16-10-5-6-18-11(10)17/h1-4,10,16H,5-7H2
InChIKeyIOPFRQVEWMFUGI-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.11
Rot. Bonds3

About 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one

3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one (PubChem CID 43823856) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one
PubChem CID43823856
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-4-2-1-3-8(9)7-16-10-5-6-18-11(10)17/h1-4,10,16H,5-7H2
InChIKeyIOPFRQVEWMFUGI-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6917064
CID 6917064
CID 71459713
CID 71459713
CID 6455333
CID 6455333
CID 16759377
CID 16759377
CID 3060076
CID 3060076
CID 10869400
CID 10869400
CID 11020724
CID 11020724
CID 11042586
CID 11042586
CID 44328147
CID 44328147
CID 71455997
CID 71455997
CID 71455999
CID 71455999
CID 15953651
CID 15953651

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one (CID 43823856) is 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one is O=C1OCCC1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one?
The InChIKey is IOPFRQVEWMFUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-4-2-1-3-8(9)7-16-10-5-6-18-11(10)17/h1-4,10,16H,5-7H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one?
3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methylamino]oxolan-2-one is sourced from PubChem (CID 43823856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).