propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

C11H18FNO2 — CID 176544836

IUPACpropan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCC(C)OC(=O)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H18FNO2/c1-8(2)15-10(14)11-4-3-5-13(11)7-9(12)6-11/h8-9H,3-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyBUPRNKYYLFFJAU-KOLCDFICSA-N
MW215.27 g/mol
LogP1.51
Rot. Bonds2

About propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 176544836) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID176544836
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Namepropan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCC(C)OC(=O)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H18FNO2/c1-8(2)15-10(14)11-4-3-5-13(11)7-9(12)6-11/h8-9H,3-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyBUPRNKYYLFFJAU-KOLCDFICSA-N
XLogP1.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 176544836) is propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is CC(C)OC(=O)[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is BUPRNKYYLFFJAU-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8(2)15-10(14)11-4-3-5-13(11)7-9(12)6-11/h8-9H,3-7H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 215.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 176544836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).