3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one

C15H20F2N2O2 — CID 106492260

IUPAC3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one
SMILESCN(CCCNCC1CC(F)(F)C(=O)O1)c1ccccc1
InChIInChI=1S/C15H20F2N2O2/c1-19(12-6-3-2-4-7-12)9-5-8-18-11-13-10-15(16,17)14(20)21-13/h2-4,6-7,13,18H,5,8-11H2,1H3
InChIKeyUIVMJVNKJATFIX-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.05
Rot. Bonds7

About 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one

3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one (PubChem CID 106492260) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one
PubChem CID106492260
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one
SMILESCN(CCCNCC1CC(F)(F)C(=O)O1)c1ccccc1
InChIInChI=1S/C15H20F2N2O2/c1-19(12-6-3-2-4-7-12)9-5-8-18-11-13-10-15(16,17)14(20)21-13/h2-4,6-7,13,18H,5,8-11H2,1H3
InChIKeyUIVMJVNKJATFIX-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
CID 106237134
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
3,3-difluoro-5-[[1-(2-methylphenyl)ethylamino]methyl]oxolan-2-one
CID 106492499
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921
3,3-difluoro-5-[[(1-methylcyclopentyl)methylamino]methyl]oxolan-2-one
CID 106492632
5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one
CID 106492486
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 62655954
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one (CID 106492260) is 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one is CN(CCCNCC1CC(F)(F)C(=O)O1)c1ccccc1.
What is the InChIKey of 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one?
The InChIKey is UIVMJVNKJATFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-19(12-6-3-2-4-7-12)9-5-8-18-11-13-10-15(16,17)14(20)21-13/h2-4,6-7,13,18H,5,8-11H2,1H3.
What are the key properties of 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one?
3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one has a molecular weight of 298.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one is sourced from PubChem (CID 106492260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).