(2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate

C13H21F2NO2 — CID 58341546

IUPAC(2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCC1N1CCCC1
InChIInChI=1S/C13H21F2NO2/c1-13(14,15)12(17)18-11-7-3-2-6-10(11)16-8-4-5-9-16/h10-11H,2-9H2,1H3
InChIKeyFRKPTOUXQSMLHG-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.59
Rot. Bonds3

About (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate

(2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate (PubChem CID 58341546) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate
PubChem CID58341546
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name(2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCC1N1CCCC1
InChIInChI=1S/C13H21F2NO2/c1-13(14,15)12(17)18-11-7-3-2-6-10(11)16-8-4-5-9-16/h10-11H,2-9H2,1H3
InChIKeyFRKPTOUXQSMLHG-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate 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 (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
The IUPAC name of (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate (CID 58341546) is (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate.
What is the SMILES notation for (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
The canonical SMILES for (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCCCC1N1CCCC1.
What is the InChIKey of (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
The InChIKey is FRKPTOUXQSMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-13(14,15)12(17)18-11-7-3-2-6-10(11)16-8-4-5-9-16/h10-11H,2-9H2,1H3.
What are the key properties of (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
(2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate has a molecular weight of 261.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-ylcyclohexyl) 2,2-difluoropropanoate is sourced from PubChem (CID 58341546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).