5-(aminomethyl)-3,3-difluorooxolan-2-one

C5H7F2NO2 — CID 106492211

IUPAC5-(aminomethyl)-3,3-difluorooxolan-2-one
SMILESNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C5H7F2NO2/c6-5(7)1-3(2-8)10-4(5)9/h3H,1-2,8H2
InChIKeyHWLORZGYGMEOFS-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.10
Rot. Bonds1

About 5-(aminomethyl)-3,3-difluorooxolan-2-one

5-(aminomethyl)-3,3-difluorooxolan-2-one (PubChem CID 106492211) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 5-(aminomethyl)-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3,3-difluorooxolan-2-one
PubChem CID106492211
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name5-(aminomethyl)-3,3-difluorooxolan-2-one
SMILESNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C5H7F2NO2/c6-5(7)1-3(2-8)10-4(5)9/h3H,1-2,8H2
InChIKeyHWLORZGYGMEOFS-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)oxolan-2-one hydrochloride
CID 85532315
5-(Aminomethyl)dihydrofuran-2(3H)-one
CID 9855462
(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
5-(Azidomethyl)-3,3-difluorooxolan-2-one
CID 49793726
(5R)-5-(azidomethyl)-3,3-difluorooxolan-2-one
CID 95757491
(5S)-5-(azidomethyl)-3,3-difluorooxolan-2-one
CID 95757492
3,3-Difluoro-5-(methylaminomethyl)oxolan-2-one
CID 106492207
3,3-Difluoro-5-[(methoxyamino)methyl]oxolan-2-one
CID 106492678
5-[(Ethoxyamino)methyl]-3,3-difluorooxolan-2-one
CID 106492680
3,3-Difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one
CID 106492827
3,3-Difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828
3,3-Difluoro-5-[[(2-methylpropan-2-yl)oxyamino]methyl]oxolan-2-one
CID 106492830

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3,3-difluorooxolan-2-one?
The IUPAC name of 5-(aminomethyl)-3,3-difluorooxolan-2-one (CID 106492211) is 5-(aminomethyl)-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-(aminomethyl)-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-(aminomethyl)-3,3-difluorooxolan-2-one is NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3,3-difluorooxolan-2-one?
The InChIKey is HWLORZGYGMEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)1-3(2-8)10-4(5)9/h3H,1-2,8H2.
What are the key properties of 5-(aminomethyl)-3,3-difluorooxolan-2-one?
5-(aminomethyl)-3,3-difluorooxolan-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).