ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C11H14F3NO4 — CID 169255175

IUPACethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@]12CCC(=O)N1CC(OC(F)(F)F)C2
InChIInChI=1S/C11H14F3NO4/c1-2-18-9(17)10-4-3-8(16)15(10)6-7(5-10)19-11(12,13)14/h7H,2-6H2,1H3/t7?,10-/m1/s1
InChIKeyGEHFWHQESHDREI-OMNKOJBGSA-N
MW281.23 g/mol
LogP1.22
Rot. Bonds3

About ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 169255175) has the molecular formula C11H14F3NO4 and a molecular weight of 281.23 g/mol. Its IUPAC name is ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID169255175
Molecular FormulaC11H14F3NO4
Molecular Weight281.23 g/mol
Exact Mass281.09
IUPAC Nameethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@]12CCC(=O)N1CC(OC(F)(F)F)C2
InChIInChI=1S/C11H14F3NO4/c1-2-18-9(17)10-4-3-8(16)15(10)6-7(5-10)19-11(12,13)14/h7H,2-6H2,1H3/t7?,10-/m1/s1
InChIKeyGEHFWHQESHDREI-OMNKOJBGSA-N
XLogP1.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,8S)-2-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761471
Ethyl (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 118109264
Ethyl 2-fluorotetrahydro-5-oxo-1H-pyrrolizine-7a(5H)-carboxylate
CID 118109396
Ethyl 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118109423
(2S,7AR)-Ethyl 2-fluoro-5-oxohexahydro-1H-pyrrolizine-7A-carboxylate
CID 118112290
Ethyl 6-fluoro-6-iodo-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132081
Ethyl 6-fluoro-6-methyl-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 137419732
Methyl 2-fluoro-5-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
CID 156117237
ethyl 5-oxo-2-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 156117277
Ethyl 6-hydroxy-3-oxo-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 156117535
ethyl (2S,8S)-5-oxo-2-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 156125384
ethyl (2S,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 164875809

Frequently Asked Questions

What is the IUPAC name of ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 169255175) is ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is CCOC(=O)[C@]12CCC(=O)N1CC(OC(F)(F)F)C2.
What is the InChIKey of ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is GEHFWHQESHDREI-OMNKOJBGSA-N. The full InChI is InChI=1S/C11H14F3NO4/c1-2-18-9(17)10-4-3-8(16)15(10)6-7(5-10)19-11(12,13)14/h7H,2-6H2,1H3/t7?,10-/m1/s1.
What are the key properties of ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 281.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8R)-5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 169255175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).