(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C13H20FNO — CID 166974406

IUPAC(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@]12CCCN1CC(=C=CF)C2
InChIInChI=1S/C13H20FNO/c1-11(2)16-10-13-5-3-7-15(13)9-12(8-13)4-6-14/h6,11H,3,5,7-10H2,1-2H3/t4?,13-/m1/s1
InChIKeyVKBILBQOCRYFHU-UHPMRNIESA-N
MW225.31 g/mol
LogP2.66
Rot. Bonds3

About (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166974406) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166974406
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@]12CCCN1CC(=C=CF)C2
InChIInChI=1S/C13H20FNO/c1-11(2)16-10-13-5-3-7-15(13)9-12(8-13)4-6-14/h6,11H,3,5,7-10H2,1-2H3/t4?,13-/m1/s1
InChIKeyVKBILBQOCRYFHU-UHPMRNIESA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166974406) is (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OC[C@]12CCCN1CC(=C=CF)C2.
What is the InChIKey of (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is VKBILBQOCRYFHU-UHPMRNIESA-N. The full InChI is InChI=1S/C13H20FNO/c1-11(2)16-10-13-5-3-7-15(13)9-12(8-13)4-6-14/h6,11H,3,5,7-10H2,1-2H3/t4?,13-/m1/s1.
What are the key properties of (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 225.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6-(2-fluoroethenylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166974406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).