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

C10H17F2NO3 — CID 106492320

IUPAC5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one
SMILESCCOCCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H17F2NO3/c1-2-15-5-3-4-13-7-8-6-10(11,12)9(14)16-8/h8,13H,2-7H2,1H3
InChIKeyNUHQSQXIQRDIFM-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.95
Rot. Bonds7

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

5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492320) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492320
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one
SMILESCCOCCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H17F2NO3/c1-2-15-5-3-4-13-7-8-6-10(11,12)9(14)16-8/h8,13H,2-7H2,1H3
InChIKeyNUHQSQXIQRDIFM-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492320) is 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one is CCOCCCNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is NUHQSQXIQRDIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-2-15-5-3-4-13-7-8-6-10(11,12)9(14)16-8/h8,13H,2-7H2,1H3.
What are the key properties of 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).