(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C11H17F2NO — CID 164921981

IUPAC(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1C/C(=C\C(F)F)C2
InChIInChI=1S/C11H17F2NO/c1-15-8-11-3-2-4-14(11)7-9(6-11)5-10(12)13/h5,10H,2-4,6-8H2,1H3/b9-5-
InChIKeyJZCKWZAKPYZDQG-UITAMQMPSA-N
MW217.26 g/mol
LogP2.06
Rot. Bonds3

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

(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 164921981) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID164921981
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1C/C(=C\C(F)F)C2
InChIInChI=1S/C11H17F2NO/c1-15-8-11-3-2-4-14(11)7-9(6-11)5-10(12)13/h5,10H,2-4,6-8H2,1H3/b9-5-
InChIKeyJZCKWZAKPYZDQG-UITAMQMPSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921952
6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922087
(4Z)-4-(2,2-difluoroethylidene)-2-(ethoxymethyl)-1-methyl-2-propylpyrrolidine
CID 164922134
(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-(2,2-Difluoroethylidene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 164922515
(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

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 164921981) is (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is COCC12CCCN1C/C(=C\C(F)F)C2.
What is the InChIKey of (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is JZCKWZAKPYZDQG-UITAMQMPSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-15-8-11-3-2-4-14(11)7-9(6-11)5-10(12)13/h5,10H,2-4,6-8H2,1H3/b9-5-.
What are the key properties of (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 217.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 164921981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).