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

C10H17F2NO3 — CID 106131015

IUPAC3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one
SMILESCC(O)CCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H17F2NO3/c1-7(14)3-2-4-13-6-8-5-10(11,12)9(15)16-8/h7-8,13-14H,2-6H2,1H3
InChIKeyOESNRQXARXAOEL-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.69
Rot. Bonds6

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

3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one (PubChem CID 106131015) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one
PubChem CID106131015
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one
SMILESCC(O)CCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H17F2NO3/c1-7(14)3-2-4-13-6-8-5-10(11,12)9(15)16-8/h7-8,13-14H,2-6H2,1H3
InChIKeyOESNRQXARXAOEL-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-5-[(4-hydroxypentylamino)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-[(4-hydroxypentylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one (CID 106131015) is 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one is CC(O)CCCNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one?
The InChIKey is OESNRQXARXAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(14)3-2-4-13-6-8-5-10(11,12)9(15)16-8/h7-8,13-14H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106131015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).