(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one

C6H9F2NO2 — CID 131214130

IUPAC(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
SMILESN[C@H](C(F)F)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9F2NO2/c7-6(8)5(9)3-1-2-4(10)11-3/h3,5-6H,1-2,9H2/t3-,5-/m0/s1
InChIKeyMIUDMEHCWWROPE-UCORVYFPSA-N
MW165.14 g/mol
LogP0.28
Rot. Bonds2

About (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one

(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one (PubChem CID 131214130) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
PubChem CID131214130
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
SMILESN[C@H](C(F)F)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9F2NO2/c7-6(8)5(9)3-1-2-4(10)11-3/h3,5-6H,1-2,9H2/t3-,5-/m0/s1
InChIKeyMIUDMEHCWWROPE-UCORVYFPSA-N
XLogP0.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
ethyl (5S)-5-amino-6,6,6-trifluorohexanoate
CID 152405664
propan-2-yl (5S)-5-amino-6,6,6-trifluorohexanoate
CID 153321771
propan-2-yl (5R)-5-amino-6,6,6-trifluorohexanoate
CID 153321772
ethyl (5R)-5-amino-6,6,6-trifluorohexanoate
CID 153321774
5-(Aminomethyl)-3,3-difluorooxolan-2-one
CID 106492211
5-(1-Amino-2,2-difluoroethyl)oxolan-2-one
CID 129996197
5-(1-Amino-2-chloro-2,2-difluoroethyl)oxolan-2-one
CID 129996198
5-(1-Amino-2,2,2-trifluoroethyl)-4-methyloxolan-2-one
CID 129996200
(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
CID 130984888
Ethyl 5-amino-6,6,6-trifluorohexanoate
CID 165888610
5-(1-Aminoethyl)-3-methyloxolan-2-one
CID 20726918

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one (CID 131214130) is (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one is N[C@H](C(F)F)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one?
The InChIKey is MIUDMEHCWWROPE-UCORVYFPSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)5(9)3-1-2-4(10)11-3/h3,5-6H,1-2,9H2/t3-,5-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one?
(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one has a molecular weight of 165.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one is sourced from PubChem (CID 131214130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).