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

C11H18FNO — CID 164921952

IUPAC2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1CC(/C=C/F)C2
InChIInChI=1S/C11H18FNO/c1-14-9-11-4-2-6-13(11)8-10(7-11)3-5-12/h3,5,10H,2,4,6-9H2,1H3/b5-3+
InChIKeyMZEDFBBLSCUQKV-HWKANZROSA-N
MW199.27 g/mol
LogP1.97
Rot. Bonds3

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

2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164921952) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164921952
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1CC(/C=C/F)C2
InChIInChI=1S/C11H18FNO/c1-14-9-11-4-2-6-13(11)8-10(7-11)3-5-12/h3,5,10H,2,4,6-9H2,1H3/b5-3+
InChIKeyMZEDFBBLSCUQKV-HWKANZROSA-N
XLogP1.97
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 ≤ 51.97
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
2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921895
(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164921981
4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 164922069
[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
(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984315
(2R,8S)-2-fluoro-8-[(1R)-1-methoxyprop-2-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 167294893
6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 168881170

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164921952) is 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCCN1CC(/C=C/F)C2.
What is the InChIKey of 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is MZEDFBBLSCUQKV-HWKANZROSA-N. The full InChI is InChI=1S/C11H18FNO/c1-14-9-11-4-2-6-13(11)8-10(7-11)3-5-12/h3,5,10H,2,4,6-9H2,1H3/b5-3+.
What are the key properties of 2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 199.27 g/mol, XLogP of 1.97, 3 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-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164921952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).