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

C10H16FNO3 — CID 164568823

IUPACmethyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)C12CC(F)CN1CC(OC)C2
InChIInChI=1S/C10H16FNO3/c1-14-8-4-10(9(13)15-2)3-7(11)5-12(10)6-8/h7-8H,3-6H2,1-2H3
InChIKeyQCEUWTOXNGCNHK-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.36
Rot. Bonds2

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

methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 164568823) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID164568823
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)C12CC(F)CN1CC(OC)C2
InChIInChI=1S/C10H16FNO3/c1-14-8-4-10(9(13)15-2)3-7(11)5-12(10)6-8/h7-8H,3-6H2,1-2H3
InChIKeyQCEUWTOXNGCNHK-UHFFFAOYSA-N
XLogP0.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 164568823) is methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is COC(=O)C12CC(F)CN1CC(OC)C2.
What is the InChIKey of methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is QCEUWTOXNGCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-14-8-4-10(9(13)15-2)3-7(11)5-12(10)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 217.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 164568823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).