3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one

C13H14F3NO2 — CID 47020410

IUPAC3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C1CCOC1=O
InChIInChI=1S/C13H14F3NO2/c1-17(11-6-7-19-12(11)18)8-9-2-4-10(5-3-9)13(14,15)16/h2-5,11H,6-8H2,1H3
InChIKeyLYTDTUZUODLRCR-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.45
Rot. Bonds3

About 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one

3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one (PubChem CID 47020410) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one.

Molecular Properties

Compound Name3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
PubChem CID47020410
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C1CCOC1=O
InChIInChI=1S/C13H14F3NO2/c1-17(11-6-7-19-12(11)18)8-9-2-4-10(5-3-9)13(14,15)16/h2-5,11H,6-8H2,1H3
InChIKeyLYTDTUZUODLRCR-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one?
The IUPAC name of 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one (CID 47020410) is 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one.
What is the SMILES notation for 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one?
The canonical SMILES for 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one is CN(Cc1ccc(C(F)(F)F)cc1)C1CCOC1=O.
What is the InChIKey of 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one?
The InChIKey is LYTDTUZUODLRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17(11-6-7-19-12(11)18)8-9-2-4-10(5-3-9)13(14,15)16/h2-5,11H,6-8H2,1H3.
What are the key properties of 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one?
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one has a molecular weight of 273.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one is sourced from PubChem (CID 47020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).