3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one

C11H17F2NO3 — CID 106360791

IUPAC3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
SMILESO=C1OC(CNC2CCCC2CO)CC1(F)F
InChIInChI=1S/C11H17F2NO3/c12-11(13)4-8(17-10(11)16)5-14-9-3-1-2-7(9)6-15/h7-9,14-15H,1-6H2
InChIKeyHDPDIZBVUOCJGI-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.69
Rot. Bonds4

About 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one

3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one (PubChem CID 106360791) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
PubChem CID106360791
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
SMILESO=C1OC(CNC2CCCC2CO)CC1(F)F
InChIInChI=1S/C11H17F2NO3/c12-11(13)4-8(17-10(11)16)5-14-9-3-1-2-7(9)6-15/h7-9,14-15H,1-6H2
InChIKeyHDPDIZBVUOCJGI-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.69
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-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one (CID 106360791) is 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one is O=C1OC(CNC2CCCC2CO)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
The InChIKey is HDPDIZBVUOCJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c12-11(13)4-8(17-10(11)16)5-14-9-3-1-2-7(9)6-15/h7-9,14-15H,1-6H2.
What are the key properties of 3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
3,3-difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one has a molecular weight of 249.26 g/mol, XLogP of 0.69, 4 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-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one is sourced from PubChem (CID 106360791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).