1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone

C12H13F2NO2 — CID 116587594

IUPAC1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone
SMILESNC1COCC1C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-2-1-7(3-10(9)14)4-12(16)8-5-17-6-11(8)15/h1-3,8,11H,4-6,15H2
InChIKeyAVXYEFOFFMRWPG-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.05
Rot. Bonds3

About 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone

1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone (PubChem CID 116587594) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone
PubChem CID116587594
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone
SMILESNC1COCC1C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-2-1-7(3-10(9)14)4-12(16)8-5-17-6-11(8)15/h1-3,8,11H,4-6,15H2
InChIKeyAVXYEFOFFMRWPG-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone
CID 116587555
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
2-(3,4-difluorophenyl)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171947590
4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 115783947
benzyl 7-[2-(3,4-difluorophenyl)acetyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171947594
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82920497
2-(3,4-difluorophenyl)-1-(thian-2-yl)ethanone
CID 82920407
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone?
The IUPAC name of 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone (CID 116587594) is 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone is NC1COCC1C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone?
The InChIKey is AVXYEFOFFMRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-2-1-7(3-10(9)14)4-12(16)8-5-17-6-11(8)15/h1-3,8,11H,4-6,15H2.
What are the key properties of 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone?
1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone has a molecular weight of 241.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 116587594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).