3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine

C9H18FNO — CID 155452437

IUPAC3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(OCCF)C1
InChIInChI=1S/C9H18FNO/c1-8(2)11-5-3-9(7-11)12-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyVGGGJYONGVTWMG-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds4

About 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine

3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine (PubChem CID 155452437) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine
PubChem CID155452437
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(OCCF)C1
InChIInChI=1S/C9H18FNO/c1-8(2)11-5-3-9(7-11)12-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyVGGGJYONGVTWMG-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine (CID 155452437) is 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine is CC(C)N1CCC(OCCF)C1.
What is the InChIKey of 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine?
The InChIKey is VGGGJYONGVTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)11-5-3-9(7-11)12-6-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine?
3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 155452437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).