methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene

C14H22FNO3S — CID 177213152

IUPACmethanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
SMILESCO.COC(=O)[C@@]12CCCN1C[C@@H](F)C2.c1ccsc1
InChIInChI=1S/C9H14FNO2.C4H4S.CH4O/c1-13-8(12)9-3-2-4-11(9)6-7(10)5-9;1-2-4-5-3-1;1-2/h7H,2-6H2,1H3;1-4H;2H,1H3/t7-,9-;;/m0../s1
InChIKeyIOCMCWPABYVTKO-VZIDAPDWSA-N
MW303.40 g/mol
LogP2.09
Rot. Bonds1

About methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene

methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene (PubChem CID 177213152) has the molecular formula C14H22FNO3S and a molecular weight of 303.40 g/mol. Its IUPAC name is methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene.

Molecular Properties

Compound Namemethanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
PubChem CID177213152
Molecular FormulaC14H22FNO3S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Namemethanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
SMILESCO.COC(=O)[C@@]12CCCN1C[C@@H](F)C2.c1ccsc1
InChIInChI=1S/C9H14FNO2.C4H4S.CH4O/c1-13-8(12)9-3-2-4-11(9)6-7(10)5-9;1-2-4-5-3-1;1-2/h7H,2-6H2,1H3;1-4H;2H,1H3/t7-,9-;;/m0../s1
InChIKeyIOCMCWPABYVTKO-VZIDAPDWSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
The IUPAC name of methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene (CID 177213152) is methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene.
What is the SMILES notation for methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
The canonical SMILES for methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene is CO.COC(=O)[C@@]12CCCN1C[C@@H](F)C2.c1ccsc1.
What is the InChIKey of methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
The InChIKey is IOCMCWPABYVTKO-VZIDAPDWSA-N. The full InChI is InChI=1S/C9H14FNO2.C4H4S.CH4O/c1-13-8(12)9-3-2-4-11(9)6-7(10)5-9;1-2-4-5-3-1;1-2/h7H,2-6H2,1H3;1-4H;2H,1H3/t7-,9-;;/m0../s1.
What are the key properties of methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene?
methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene has a molecular weight of 303.40 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene is sourced from PubChem (CID 177213152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).