1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine

C9H18FN — CID 58578283

IUPAC1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1CCF
InChIInChI=1S/C9H18FN/c1-8(2)9-4-3-6-11(9)7-5-10/h8-9H,3-7H2,1-2H3
InChIKeyZQGFXDKEJXTIBM-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine

1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine (PubChem CID 58578283) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine
PubChem CID58578283
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1CCF
InChIInChI=1S/C9H18FN/c1-8(2)9-4-3-6-11(9)7-5-10/h8-9H,3-7H2,1-2H3
InChIKeyZQGFXDKEJXTIBM-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine (CID 58578283) is 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine is CC(C)C1CCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine?
The InChIKey is ZQGFXDKEJXTIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)9-4-3-6-11(9)7-5-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine?
1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 58578283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).