3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine

C8H16FN — CID 58945070

IUPAC3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine
SMILESCCC1(CF)CCN(C)C1
InChIInChI=1S/C8H16FN/c1-3-8(6-9)4-5-10(2)7-8/h3-7H2,1-2H3
InChIKeyYMAXNIXPOWJLJZ-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds2

About 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine

3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine (PubChem CID 58945070) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine
PubChem CID58945070
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine
SMILESCCC1(CF)CCN(C)C1
InChIInChI=1S/C8H16FN/c1-3-8(6-9)4-5-10(2)7-8/h3-7H2,1-2H3
InChIKeyYMAXNIXPOWJLJZ-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine?
The IUPAC name of 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine (CID 58945070) is 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine?
The canonical SMILES for 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine is CCC1(CF)CCN(C)C1.
What is the InChIKey of 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine?
The InChIKey is YMAXNIXPOWJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-8(6-9)4-5-10(2)7-8/h3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine?
3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(fluoromethyl)-1-methylpyrrolidine is sourced from PubChem (CID 58945070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).