(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium

C11H19FN+ — CID 170727008

IUPAC(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium
SMILESCCC12CCC[N+]1(C)C/C(=C\F)C2
InChIInChI=1S/C11H19FN/c1-3-11-5-4-6-13(11,2)9-10(7-11)8-12/h8H,3-7,9H2,1-2H3/q+1/b10-8-
InChIKeyBIRXQTSYEQFGDX-NTMALXAHSA-N
MW184.28 g/mol
LogP2.63
Rot. Bonds1

About (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium

(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium (PubChem CID 170727008) has the molecular formula C11H19FN+ and a molecular weight of 184.28 g/mol. Its IUPAC name is (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium.

Molecular Properties

Compound Name(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium
PubChem CID170727008
Molecular FormulaC11H19FN+
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium
SMILESCCC12CCC[N+]1(C)C/C(=C\F)C2
InChIInChI=1S/C11H19FN/c1-3-11-5-4-6-13(11,2)9-10(7-11)8-12/h8H,3-7,9H2,1-2H3/q+1/b10-8-
InChIKeyBIRXQTSYEQFGDX-NTMALXAHSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium?
The IUPAC name of (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium (CID 170727008) is (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium.
What is the SMILES notation for (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium?
The canonical SMILES for (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium is CCC12CCC[N+]1(C)C/C(=C\F)C2.
What is the InChIKey of (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium?
The InChIKey is BIRXQTSYEQFGDX-NTMALXAHSA-N. The full InChI is InChI=1S/C11H19FN/c1-3-11-5-4-6-13(11,2)9-10(7-11)8-12/h8H,3-7,9H2,1-2H3/q+1/b10-8-.
What are the key properties of (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium?
(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium has a molecular weight of 184.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium is sourced from PubChem (CID 170727008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).