methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

C9H13F2NO2 — CID 170677374

IUPACmethyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)C12C[C@H](F)CN1C[C@H](F)C2
InChIInChI=1S/C9H13F2NO2/c1-14-8(13)9-2-6(10)4-12(9)5-7(11)3-9/h6-7H,2-5H2,1H3/t6-,7+,9?
InChIKeyAUEIVCZUQYPJAK-AVSFMBPQSA-N
MW205.20 g/mol
LogP0.68
Rot. Bonds1

About methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 170677374) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID170677374
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Namemethyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)C12C[C@H](F)CN1C[C@H](F)C2
InChIInChI=1S/C9H13F2NO2/c1-14-8(13)9-2-6(10)4-12(9)5-7(11)3-9/h6-7H,2-5H2,1H3/t6-,7+,9?
InChIKeyAUEIVCZUQYPJAK-AVSFMBPQSA-N
XLogP0.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 170677374) is methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is COC(=O)C12C[C@H](F)CN1C[C@H](F)C2.
What is the InChIKey of methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is AUEIVCZUQYPJAK-AVSFMBPQSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-14-8(13)9-2-6(10)4-12(9)5-7(11)3-9/h6-7H,2-5H2,1H3/t6-,7+,9?.
What are the key properties of methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 205.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 170677374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).