3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine

C14H20FNO — CID 71041197

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1CC(C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11-9-16(7-8-17-2)10-14(11)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3
InChIKeyCMHYBHOKQBYHQD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.51
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine

3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine (PubChem CID 71041197) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
PubChem CID71041197
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
SMILESCOCCN1CC(C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11-9-16(7-8-17-2)10-14(11)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3
InChIKeyCMHYBHOKQBYHQD-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine (CID 71041197) is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine is COCCN1CC(C)C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
The InChIKey is CMHYBHOKQBYHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-9-16(7-8-17-2)10-14(11)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine?
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine is sourced from PubChem (CID 71041197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).