5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one

C11H9F4NO2 — CID 106492449

IUPAC5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNc2cccc(F)c2F)CC1(F)F
InChIInChI=1S/C11H9F4NO2/c12-7-2-1-3-8(9(7)13)16-5-6-4-11(14,15)10(17)18-6/h1-3,6,16H,4-5H2
InChIKeyAGESCJKLEUJJKD-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.33
Rot. Bonds3

About 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one

5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492449) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492449
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNc2cccc(F)c2F)CC1(F)F
InChIInChI=1S/C11H9F4NO2/c12-7-2-1-3-8(9(7)13)16-5-6-4-11(14,15)10(17)18-6/h1-3,6,16H,4-5H2
InChIKeyAGESCJKLEUJJKD-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromo-3-chloroanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492991
3,3-difluoro-5-[(2-methoxyanilino)methyl]oxolan-2-one
CID 106492239
3,3-difluoro-5-[[2-(methoxymethyl)anilino]methyl]oxolan-2-one
CID 106492495
3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one
CID 106492983
5-[(4-bromo-5-fluoro-2-methylanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492956
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
5-[[(6-bromonaphthalen-2-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492765
5-[(4-bromo-3-chloroanilino)methyl]-3,3-difluorooxolan-2-one
CID 107619895
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
5-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3,3-difluorooxolan-2-one
CID 106492674
3,3-difluoro-5-[[1-(2-methylphenyl)ethylamino]methyl]oxolan-2-one
CID 106492499

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one (CID 106492449) is 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one is O=C1OC(CNc2cccc(F)c2F)CC1(F)F.
What is the InChIKey of 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is AGESCJKLEUJJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c12-7-2-1-3-8(9(7)13)16-5-6-4-11(14,15)10(17)18-6/h1-3,6,16H,4-5H2.
What are the key properties of 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one?
5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 263.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).