(6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine

C11H18FNO — CID 168995722

IUPAC(6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCOCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C11H18FNO/c1-2-14-9-11-4-3-5-13(11)8-10(6-11)7-12/h7H,2-6,8-9H2,1H3/b10-7-
InChIKeyMHVHCGPEJXLAGO-YFHOEESVSA-N
MW199.27 g/mol
LogP2.11
Rot. Bonds3

About (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine

(6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 168995722) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID168995722
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCOCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C11H18FNO/c1-2-14-9-11-4-3-5-13(11)8-10(6-11)7-12/h7H,2-6,8-9H2,1H3/b10-7-
InChIKeyMHVHCGPEJXLAGO-YFHOEESVSA-N
XLogP2.11
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 ≤ 52.11
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
(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(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
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878470
8-(Ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903734
2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921895

Frequently Asked Questions

What is the IUPAC name of (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 168995722) is (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine is CCOCC12CCCN1C/C(=C\F)C2.
What is the InChIKey of (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is MHVHCGPEJXLAGO-YFHOEESVSA-N. The full InChI is InChI=1S/C11H18FNO/c1-2-14-9-11-4-3-5-13(11)8-10(6-11)7-12/h7H,2-6,8-9H2,1H3/b10-7-.
What are the key properties of (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 199.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 168995722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).