(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine

C11H18FNO — CID 167294893

IUPAC(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=C[C@@H](OC)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H18FNO/c1-3-10(14-2)11-5-4-6-13(11)8-9(12)7-11/h3,9-10H,1,4-8H2,2H3/t9-,10-,11+/m1/s1
InChIKeyZXJDIUQMNQXCIB-MXWKQRLJSA-N
MW199.27 g/mol
LogP1.76
Rot. Bonds3

About (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine

(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 167294893) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID167294893
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=C[C@@H](OC)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H18FNO/c1-3-10(14-2)11-5-4-6-13(11)8-9(12)7-11/h3,9-10H,1,4-8H2,2H3/t9-,10-,11+/m1/s1
InChIKeyZXJDIUQMNQXCIB-MXWKQRLJSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 167294893) is (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine is C=C[C@@H](OC)[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is ZXJDIUQMNQXCIB-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H18FNO/c1-3-10(14-2)11-5-4-6-13(11)8-9(12)7-11/h3,9-10H,1,4-8H2,2H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 199.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 167294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).