3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine

C12H16FNO — CID 84734360

IUPAC3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine
SMILESCOC1CNCC1Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-15-12-8-14-7-10(12)6-9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3
InChIKeyXVTYQAHAWHFEPP-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.60
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine

3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine (PubChem CID 84734360) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine
PubChem CID84734360
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine
SMILESCOC1CNCC1Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-15-12-8-14-7-10(12)6-9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3
InChIKeyXVTYQAHAWHFEPP-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine (CID 84734360) is 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine is COC1CNCC1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine?
The InChIKey is XVTYQAHAWHFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-8-14-7-10(12)6-9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine?
3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine is sourced from PubChem (CID 84734360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).