2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone

C13H15F2NO2 — CID 116561547

IUPAC2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCNC1COCC1C(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H15F2NO2/c1-16-11-7-18-6-9(11)12(17)5-8-3-2-4-10(14)13(8)15/h2-4,9,11,16H,5-7H2,1H3
InChIKeyNLCAJIJLJHLGHW-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.31
Rot. Bonds4

About 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone

2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone (PubChem CID 116561547) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
PubChem CID116561547
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCNC1COCC1C(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H15F2NO2/c1-16-11-7-18-6-9(11)12(17)5-8-3-2-4-10(14)13(8)15/h2-4,9,11,16H,5-7H2,1H3
InChIKeyNLCAJIJLJHLGHW-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone 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

2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588148
1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 116561283
N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266165
1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116561419
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266257
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
CID 114477902
4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287
1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239756
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone (CID 116561547) is 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone is CNC1COCC1C(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The InChIKey is NLCAJIJLJHLGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-16-11-7-18-6-9(11)12(17)5-8-3-2-4-10(14)13(8)15/h2-4,9,11,16H,5-7H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone has a molecular weight of 255.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116561547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).