3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one

C10H15F2NO2S — CID 106492758

IUPAC3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
SMILESO=C1OC(CNCC2CCCS2)CC1(F)F
InChIInChI=1S/C10H15F2NO2S/c11-10(12)4-7(15-9(10)14)5-13-6-8-2-1-3-16-8/h7-8,13H,1-6H2
InChIKeyOEMLEKVFSXADTG-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.42
Rot. Bonds4

About 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one

3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one (PubChem CID 106492758) has the molecular formula C10H15F2NO2S and a molecular weight of 251.30 g/mol. Its IUPAC name is 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
PubChem CID106492758
Molecular FormulaC10H15F2NO2S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
SMILESO=C1OC(CNCC2CCCS2)CC1(F)F
InChIInChI=1S/C10H15F2NO2S/c11-10(12)4-7(15-9(10)14)5-13-6-8-2-1-3-16-8/h7-8,13H,1-6H2
InChIKeyOEMLEKVFSXADTG-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 114105556
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492650
5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
CID 106237134
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848
3,3-difluoro-5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]oxolan-2-one
CID 106492966
3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
3,3-difluoro-5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]oxolan-2-one
CID 106189900
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492809
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
5-[(2,3-difluoroanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492449

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one (CID 106492758) is 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one is O=C1OC(CNCC2CCCS2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one?
The InChIKey is OEMLEKVFSXADTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2S/c11-10(12)4-7(15-9(10)14)5-13-6-8-2-1-3-16-8/h7-8,13H,1-6H2.
What are the key properties of 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).