3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine

C14H20FNO — CID 130451700

IUPAC3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)CC1Oc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-10(2)13-8-16(3)9-14(13)17-12-6-4-11(15)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyFWNOLKMUMOZAJA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.79
Rot. Bonds3

About 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine

3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine (PubChem CID 130451700) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine
PubChem CID130451700
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)CC1Oc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-10(2)13-8-16(3)9-14(13)17-12-6-4-11(15)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyFWNOLKMUMOZAJA-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine?
The IUPAC name of 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine (CID 130451700) is 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine is CC(C)C1CN(C)CC1Oc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine?
The InChIKey is FWNOLKMUMOZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)13-8-16(3)9-14(13)17-12-6-4-11(15)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine?
3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-methyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 130451700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).