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

C12H21F2NO3 — CID 106115295

IUPAC3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one
SMILESCCCC(CCO)CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H21F2NO3/c1-2-3-9(4-5-16)7-15-8-10-6-12(13,14)11(17)18-10/h9-10,15-16H,2-8H2,1H3
InChIKeyINSHEAOYKFLIIV-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.33
Rot. Bonds8

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

3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one (PubChem CID 106115295) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one
PubChem CID106115295
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one
SMILESCCCC(CCO)CNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H21F2NO3/c1-2-3-9(4-5-16)7-15-8-10-6-12(13,14)11(17)18-10/h9-10,15-16H,2-8H2,1H3
InChIKeyINSHEAOYKFLIIV-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one (CID 106115295) is 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one is CCCC(CCO)CNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one?
The InChIKey is INSHEAOYKFLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-2-3-9(4-5-16)7-15-8-10-6-12(13,14)11(17)18-10/h9-10,15-16H,2-8H2,1H3.
What are the key properties of 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one?
3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one has a molecular weight of 265.30 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one is sourced from PubChem (CID 106115295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).