3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine

C9H16FNO — CID 177156859

IUPAC3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine
SMILESCCC1(F)CCN(C2COC2)C1
InChIInChI=1S/C9H16FNO/c1-2-9(10)3-4-11(7-9)8-5-12-6-8/h8H,2-7H2,1H3
InChIKeyIPBNVAUISYGHGQ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds2

About 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine

3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine (PubChem CID 177156859) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine
PubChem CID177156859
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine
SMILESCCC1(F)CCN(C2COC2)C1
InChIInChI=1S/C9H16FNO/c1-2-9(10)3-4-11(7-9)8-5-12-6-8/h8H,2-7H2,1H3
InChIKeyIPBNVAUISYGHGQ-UHFFFAOYSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine (CID 177156859) is 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine is CCC1(F)CCN(C2COC2)C1.
What is the InChIKey of 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is IPBNVAUISYGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-9(10)3-4-11(7-9)8-5-12-6-8/h8H,2-7H2,1H3.
What are the key properties of 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 173.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 177156859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).