ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

C10H16FNO2 — CID 172508284

IUPACethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCCN1CC(F)C2
InChIInChI=1S/C10H16FNO2/c1-2-14-9(13)10-4-3-5-12(10)7-8(11)6-10/h8H,2-7H2,1H3
InChIKeyBJARZHUOZVOTQI-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.13
Rot. Bonds2

About ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 172508284) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID172508284
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nameethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCCN1CC(F)C2
InChIInChI=1S/C10H16FNO2/c1-2-14-9(13)10-4-3-5-12(10)7-8(11)6-10/h8H,2-7H2,1H3
InChIKeyBJARZHUOZVOTQI-UHFFFAOYSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl hexahydro-1H-pyrrolizine-7a-carboxylate
CID 394149
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 2-fluoro-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 118132084
Ethyl 6-fluoro-6-methyl-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 137419732
Methyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 146026783
(2R,7AS)-2-fluorohexahydro-1H-pyrrolizine-7a-carboxylic acid
CID 146035783
methyl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 154809687
(2R,7AS)-2-Fluorotetrahydro-1H-pyrrolizine-7a(5H)-carboxylic acid
CID 154810159
Methyl 3-(fluoromethyl)tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
CID 155211023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 172508284) is ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is CCOC(=O)C12CCCN1CC(F)C2.
What is the InChIKey of ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is BJARZHUOZVOTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-2-14-9(13)10-4-3-5-12(10)7-8(11)6-10/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 201.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 172508284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).