5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one

C12H22F2N2O2 — CID 106492486

IUPAC5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one
SMILESCC(C)C(CN(C)C)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H22F2N2O2/c1-8(2)10(7-16(3)4)15-6-9-5-12(13,14)11(17)18-9/h8-10,15H,5-7H2,1-4H3
InChIKeyYAKOQSVTMKOSOX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds6

About 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one

5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492486) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106492486
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one
SMILESCC(C)C(CN(C)C)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H22F2N2O2/c1-8(2)10(7-16(3)4)15-6-9-5-12(13,14)11(17)18-9/h8-10,15H,5-7H2,1-4H3
InChIKeyYAKOQSVTMKOSOX-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492650
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492953
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
3,3-difluoro-5-[[1-(2-methylphenyl)ethylamino]methyl]oxolan-2-one
CID 106492499
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492478
3,3-difluoro-5-[(1-phenylpropylamino)methyl]oxolan-2-one
CID 106492564
3,3-difluoro-5-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]oxolan-2-one
CID 106492452
3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one (CID 106492486) is 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one is CC(C)C(CN(C)C)NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is YAKOQSVTMKOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-8(2)10(7-16(3)4)15-6-9-5-12(13,14)11(17)18-9/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one?
5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).