3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one

C9H15F2NO2 — CID 106492223

IUPAC3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one
SMILESCC(C)CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C9H15F2NO2/c1-6(2)4-12-5-7-3-9(10,11)8(13)14-7/h6-7,12H,3-5H2,1-2H3
InChIKeyJBOLIRSGWRTWIA-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds4

About 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one

3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one (PubChem CID 106492223) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one
PubChem CID106492223
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one
SMILESCC(C)CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C9H15F2NO2/c1-6(2)4-12-5-7-3-9(10,11)8(13)14-7/h6-7,12H,3-5H2,1-2H3
InChIKeyJBOLIRSGWRTWIA-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one 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 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one (CID 106492223) is 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one is CC(C)CNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one?
The InChIKey is JBOLIRSGWRTWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-6(2)4-12-5-7-3-9(10,11)8(13)14-7/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one has a molecular weight of 207.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(2-methylpropylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).