(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium

C11H21FN+ — CID 175614657

IUPAC(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
SMILESC=C1CC[N@@+](C)(CC)C1(C)CCF
InChIInChI=1S/C11H21FN/c1-5-13(4)9-6-10(2)11(13,3)7-8-12/h2,5-9H2,1,3-4H3/q+1/t11?,13-/m1/s1
InChIKeyDCEROAVBIATHGS-GLGOKHISSA-N
MW186.29 g/mol
LogP2.53
Rot. Bonds3

About (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium

(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium (PubChem CID 175614657) has the molecular formula C11H21FN+ and a molecular weight of 186.29 g/mol. Its IUPAC name is (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
PubChem CID175614657
Molecular FormulaC11H21FN+
Molecular Weight186.29 g/mol
Exact Mass186.17
IUPAC Name(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
SMILESC=C1CC[N@@+](C)(CC)C1(C)CCF
InChIInChI=1S/C11H21FN/c1-5-13(4)9-6-10(2)11(13,3)7-8-12/h2,5-9H2,1,3-4H3/q+1/t11?,13-/m1/s1
InChIKeyDCEROAVBIATHGS-GLGOKHISSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium?
The IUPAC name of (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium (CID 175614657) is (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium.
What is the SMILES notation for (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium?
The canonical SMILES for (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium is C=C1CC[N@@+](C)(CC)C1(C)CCF.
What is the InChIKey of (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium?
The InChIKey is DCEROAVBIATHGS-GLGOKHISSA-N. The full InChI is InChI=1S/C11H21FN/c1-5-13(4)9-6-10(2)11(13,3)7-8-12/h2,5-9H2,1,3-4H3/q+1/t11?,13-/m1/s1.
What are the key properties of (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium?
(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium has a molecular weight of 186.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium is sourced from PubChem (CID 175614657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).