5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one

C12H19F2NO2 — CID 106492650

IUPAC5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESCC(NCC1CC(F)(F)C(=O)O1)C1CCCC1
InChIInChI=1S/C12H19F2NO2/c1-8(9-4-2-3-5-9)15-7-10-6-12(13,14)11(16)17-10/h8-10,15H,2-7H2,1H3
InChIKeyBWKMWBNNLTXVDX-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.11
Rot. Bonds4

About 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one

5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492650) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492650
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESCC(NCC1CC(F)(F)C(=O)O1)C1CCCC1
InChIInChI=1S/C12H19F2NO2/c1-8(9-4-2-3-5-9)15-7-10-6-12(13,14)11(16)17-10/h8-10,15H,2-7H2,1H3
InChIKeyBWKMWBNNLTXVDX-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one
CID 106492486
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492478
3,3-difluoro-5-[[1-(2-methylphenyl)ethylamino]methyl]oxolan-2-one
CID 106492499
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492953
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
3,3-difluoro-5-[[(1-methylcyclopentyl)methylamino]methyl]oxolan-2-one
CID 106492632
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492650) is 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one is CC(NCC1CC(F)(F)C(=O)O1)C1CCCC1.
What is the InChIKey of 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is BWKMWBNNLTXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-8(9-4-2-3-5-9)15-7-10-6-12(13,14)11(16)17-10/h8-10,15H,2-7H2,1H3.
What are the key properties of 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 247.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).