5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one

C12H17F2NO3 — CID 114118984

IUPAC5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNC2CCOC2C2CC2)CC1(F)F
InChIInChI=1S/C12H17F2NO3/c13-12(14)5-8(18-11(12)16)6-15-9-3-4-17-10(9)7-1-2-7/h7-10,15H,1-6H2
InChIKeyVORMLOBNSPPEEF-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.09
Rot. Bonds4

About 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one

5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 114118984) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID114118984
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNC2CCOC2C2CC2)CC1(F)F
InChIInChI=1S/C12H17F2NO3/c13-12(14)5-8(18-11(12)16)6-15-9-3-4-17-10(9)7-1-2-7/h7-10,15H,1-6H2
InChIKeyVORMLOBNSPPEEF-UHFFFAOYSA-N
XLogP1.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-5-[[(2-methylcyclohexyl)amino]methyl]oxolan-2-one
CID 106492308
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476
3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
5-[[(2-ethyloxolan-3-yl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 114105556
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
N-(cyclobutylmethyl)-2-cyclopropyloxolan-3-amine
CID 103580992
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492809
3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 106492708
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
CID 106492758
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492650

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one (CID 114118984) is 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one is O=C1OC(CNC2CCOC2C2CC2)CC1(F)F.
What is the InChIKey of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is VORMLOBNSPPEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-12(14)5-8(18-11(12)16)6-15-9-3-4-17-10(9)7-1-2-7/h7-10,15H,1-6H2.
What are the key properties of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 261.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 114118984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).