[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate

C15H18FNO2 — CID 170357044

IUPAC[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate
SMILESO=C(OCC1CCC2C[C@@H](F)CN12)c1ccccc1
InChIInChI=1S/C15H18FNO2/c16-12-8-13-6-7-14(17(13)9-12)10-19-15(18)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-,13?,14?/m1/s1
InChIKeyPXHTUTZXOMHDSN-IYXRBSQSSA-N
MW263.31 g/mol
LogP2.42
Rot. Bonds3

About [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate

[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate (PubChem CID 170357044) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate.

Molecular Properties

Compound Name[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate
PubChem CID170357044
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate
SMILESO=C(OCC1CCC2C[C@@H](F)CN12)c1ccccc1
InChIInChI=1S/C15H18FNO2/c16-12-8-13-6-7-14(17(13)9-12)10-19-15(18)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-,13?,14?/m1/s1
InChIKeyPXHTUTZXOMHDSN-IYXRBSQSSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate?
The IUPAC name of [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate (CID 170357044) is [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate.
What is the SMILES notation for [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate?
The canonical SMILES for [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate is O=C(OCC1CCC2C[C@@H](F)CN12)c1ccccc1.
What is the InChIKey of [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate?
The InChIKey is PXHTUTZXOMHDSN-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-8-13-6-7-14(17(13)9-12)10-19-15(18)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-,13?,14?/m1/s1.
What are the key properties of [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate?
[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate has a molecular weight of 263.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate is sourced from PubChem (CID 170357044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).