(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H16FN — CID 169183813

IUPAC(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C10H16FN/c1-2-10-4-3-5-12(10)8-9(6-10)7-11/h7H,2-6,8H2,1H3/b9-7+
InChIKeyOGIQZZINTHOVIB-VQHVLOKHSA-N
MW169.24 g/mol
LogP2.49
Rot. Bonds1

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

(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 169183813) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID169183813
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C10H16FN/c1-2-10-4-3-5-12(10)8-9(6-10)7-11/h7H,2-6,8H2,1H3/b9-7+
InChIKeyOGIQZZINTHOVIB-VQHVLOKHSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 169183813) is (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine is CCC12CCCN1C/C(=C/F)C2.
What is the InChIKey of (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is OGIQZZINTHOVIB-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16FN/c1-2-10-4-3-5-12(10)8-9(6-10)7-11/h7H,2-6,8H2,1H3/b9-7+.
What are the key properties of (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 169.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 169183813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).