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

C12H19F2NO2 — CID 106492369

IUPAC5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNCC2CCCCC2)CC1(F)F
InChIInChI=1S/C12H19F2NO2/c13-12(14)6-10(17-11(12)16)8-15-7-9-4-2-1-3-5-9/h9-10,15H,1-8H2
InChIKeyURYACFPLZXOLSD-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.11
Rot. Bonds4

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

5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492369) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492369
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNCC2CCCCC2)CC1(F)F
InChIInChI=1S/C12H19F2NO2/c13-12(14)6-10(17-11(12)16)8-15-7-9-4-2-1-3-5-9/h9-10,15H,1-8H2
InChIKeyURYACFPLZXOLSD-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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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one (CID 106492369) is 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one is O=C1OC(CNCC2CCCCC2)CC1(F)F.
What is the InChIKey of 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is URYACFPLZXOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c13-12(14)6-10(17-11(12)16)8-15-7-9-4-2-1-3-5-9/h9-10,15H,1-8H2.
What are the key properties of 5-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one?
5-[(cyclohexylmethylamino)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-[(cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).