3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one

C11H17F2NO3 — CID 106492582

IUPAC3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
SMILESO=C1OC(CNC2(CO)CCCC2)CC1(F)F
InChIInChI=1S/C11H17F2NO3/c12-11(13)5-8(17-9(11)16)6-14-10(7-15)3-1-2-4-10/h8,14-15H,1-7H2
InChIKeyJGPXTZYKJUPRIY-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.83
Rot. Bonds4

About 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one

3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one (PubChem CID 106492582) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
PubChem CID106492582
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
SMILESO=C1OC(CNC2(CO)CCCC2)CC1(F)F
InChIInChI=1S/C11H17F2NO3/c12-11(13)5-8(17-9(11)16)6-14-10(7-15)3-1-2-4-10/h8,14-15H,1-7H2
InChIKeyJGPXTZYKJUPRIY-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899255
5-[[(1-Ethylcyclopentyl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 105891080
3,3-Difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one
CID 106115295
3,3-Difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one
CID 106132303
3,3-Difluoro-5-[[(4-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one
CID 106133283
3,3-Difluoro-5-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]oxolan-2-one
CID 106147139
3,3-Difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one
CID 106175354
3,3-Difluoro-5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]oxolan-2-one
CID 106189900
5-[[(3-Ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106285508
3,3-Difluoro-5-[[(2-hydroxy-2-methylpentyl)amino]methyl]oxolan-2-one
CID 106292810
3,3-Difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one
CID 106297747
3,3-Difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one
CID 106328748

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one (CID 106492582) is 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one is O=C1OC(CNC2(CO)CCCC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
The InChIKey is JGPXTZYKJUPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c12-11(13)5-8(17-9(11)16)6-14-10(7-15)3-1-2-4-10/h8,14-15H,1-7H2.
What are the key properties of 3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one?
3,3-difluoro-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one has a molecular weight of 249.26 g/mol, XLogP of 0.83, 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-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one is sourced from PubChem (CID 106492582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).