(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one

C6H8F3NO2 — CID 130982547

IUPAC(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
SMILESN[C@H]([C@H]1CCC(=O)O1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(10)3-1-2-4(11)12-3/h3,5H,1-2,10H2/t3-,5-/m1/s1
InChIKeyCWUMHBMPGXLERF-NQXXGFSBSA-N
MW183.13 g/mol
LogP0.58
Rot. Bonds1

About (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one

(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one (PubChem CID 130982547) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
PubChem CID130982547
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
SMILESN[C@H]([C@H]1CCC(=O)O1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(10)3-1-2-4(11)12-3/h3,5H,1-2,10H2/t3-,5-/m1/s1
InChIKeyCWUMHBMPGXLERF-NQXXGFSBSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
CID 131214130
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 (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one (CID 130982547) is (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one is N[C@H]([C@H]1CCC(=O)O1)C(F)(F)F.
What is the InChIKey of (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one?
The InChIKey is CWUMHBMPGXLERF-NQXXGFSBSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(10)3-1-2-4(11)12-3/h3,5H,1-2,10H2/t3-,5-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one?
(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one has a molecular weight of 183.13 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one is sourced from PubChem (CID 130982547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).