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

C11H17F2NO2 — CID 106492368

IUPAC5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNCC2CCCC2)CC1(F)F
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-9(16-10(11)15)7-14-6-8-3-1-2-4-8/h8-9,14H,1-7H2
InChIKeyHAPDDKMVTUHWIH-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.72
Rot. Bonds4

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

5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492368) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492368
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNCC2CCCC2)CC1(F)F
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-9(16-10(11)15)7-14-6-8-3-1-2-4-8/h8-9,14H,1-7H2
InChIKeyHAPDDKMVTUHWIH-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492368) is 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one is O=C1OC(CNCC2CCCC2)CC1(F)F.
What is the InChIKey of 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is HAPDDKMVTUHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)5-9(16-10(11)15)7-14-6-8-3-1-2-4-8/h8-9,14H,1-7H2.
What are the key properties of 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 233.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylmethylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).