[4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone

C13H14F3NO3 — CID 116561329

IUPAC[4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCNC1COCC1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-17-10-7-19-6-9(10)12(18)8-4-2-3-5-11(8)20-13(14,15)16/h2-5,9-10,17H,6-7H2,1H3
InChIKeyHMCZVNRSEMPKGE-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.00
Rot. Bonds4

About [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone

[4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 116561329) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID116561329
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name[4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCNC1COCC1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-17-10-7-19-6-9(10)12(18)8-4-2-3-5-11(8)20-13(14,15)16/h2-5,9-10,17H,6-7H2,1H3
InChIKeyHMCZVNRSEMPKGE-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 116561329) is [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone is CNC1COCC1C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HMCZVNRSEMPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-17-10-7-19-6-9(10)12(18)8-4-2-3-5-11(8)20-13(14,15)16/h2-5,9-10,17H,6-7H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 289.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116561329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).