3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine

C9H18FN — CID 130875141

IUPAC3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine
SMILESCCC1CCN(CCF)C1C
InChIInChI=1S/C9H18FN/c1-3-9-4-6-11(7-5-10)8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyLQTYCVRTLNWMQH-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine

3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine (PubChem CID 130875141) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine
PubChem CID130875141
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine
SMILESCCC1CCN(CCF)C1C
InChIInChI=1S/C9H18FN/c1-3-9-4-6-11(7-5-10)8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyLQTYCVRTLNWMQH-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine?
The IUPAC name of 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine (CID 130875141) is 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine.
What is the SMILES notation for 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine?
The canonical SMILES for 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine is CCC1CCN(CCF)C1C.
What is the InChIKey of 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine?
The InChIKey is LQTYCVRTLNWMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-9-4-6-11(7-5-10)8(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine?
3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine is sourced from PubChem (CID 130875141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).