1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine

C13H23F2NO — CID 58341560

IUPAC1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine
SMILESCC(F)(F)COC1CCCCC1N1CCCC1
InChIInChI=1S/C13H23F2NO/c1-13(14,15)10-17-12-7-3-2-6-11(12)16-8-4-5-9-16/h11-12H,2-10H2,1H3
InChIKeyPDLWSODKPARGQW-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine

1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine (PubChem CID 58341560) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine
PubChem CID58341560
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine
SMILESCC(F)(F)COC1CCCCC1N1CCCC1
InChIInChI=1S/C13H23F2NO/c1-13(14,15)10-17-12-7-3-2-6-11(12)16-8-4-5-9-16/h11-12H,2-10H2,1H3
InChIKeyPDLWSODKPARGQW-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,2-difluoropropoxy)cyclohexyl]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 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine?
The IUPAC name of 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine (CID 58341560) is 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine is CC(F)(F)COC1CCCCC1N1CCCC1.
What is the InChIKey of 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine?
The InChIKey is PDLWSODKPARGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-13(14,15)10-17-12-7-3-2-6-11(12)16-8-4-5-9-16/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine?
1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine has a molecular weight of 247.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoropropoxy)cyclohexyl]pyrrolidine is sourced from PubChem (CID 58341560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).