3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one

C12H20F2N2O3 — CID 106492362

IUPAC3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one
SMILESO=C1OC(CNCCCN2CCOCC2)CC1(F)F
InChIInChI=1S/C12H20F2N2O3/c13-12(14)8-10(19-11(12)17)9-15-2-1-3-16-4-6-18-7-5-16/h10,15H,1-9H2
InChIKeyKCZBULOTPMBHOU-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.25
Rot. Bonds6

About 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one

3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one (PubChem CID 106492362) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one
PubChem CID106492362
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one
SMILESO=C1OC(CNCCCN2CCOCC2)CC1(F)F
InChIInChI=1S/C12H20F2N2O3/c13-12(14)8-10(19-11(12)17)9-15-2-1-3-16-4-6-18-7-5-16/h10,15H,1-9H2
InChIKeyKCZBULOTPMBHOU-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)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-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one (CID 106492362) is 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one is O=C1OC(CNCCCN2CCOCC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one?
The InChIKey is KCZBULOTPMBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c13-12(14)8-10(19-11(12)17)9-15-2-1-3-16-4-6-18-7-5-16/h10,15H,1-9H2.
What are the key properties of 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one has a molecular weight of 278.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(3-morpholin-4-ylpropylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).