2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C13H22FNO — CID 164921895

IUPAC2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC(/C=C/F)C2
InChIInChI=1S/C13H22FNO/c1-11(2)16-10-13-5-3-7-15(13)9-12(8-13)4-6-14/h4,6,11-12H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyFGXCXSFTUWBKTR-GQCTYLIASA-N
MW227.32 g/mol
LogP2.75
Rot. Bonds4

About 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164921895) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164921895
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC(/C=C/F)C2
InChIInChI=1S/C13H22FNO/c1-11(2)16-10-13-5-3-7-15(13)9-12(8-13)4-6-14/h4,6,11-12H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyFGXCXSFTUWBKTR-GQCTYLIASA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S,7aS)-6-fluoro-3,3-dimethyl-6-prop-2-enyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470034
(6E)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656569
2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656570
(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656573
6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163889612
2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921952
4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 164922069
(6Z)-6-(2,2-difluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922238
6-(difluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922351
[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite
CID 164922500
(6Z)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164943231
(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166974406

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164921895) is 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CCCN1CC(/C=C/F)C2.
What is the InChIKey of 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FGXCXSFTUWBKTR-GQCTYLIASA-N. The full InChI is InChI=1S/C13H22FNO/c1-11(2)16-10-13-5-3-7-15(13)9-12(8-13)4-6-14/h4,6,11-12H,3,5,7-10H2,1-2H3/b6-4+.
What are the key properties of 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 227.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164921895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).