(1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate

C10H17F2NO2 — CID 58571505

IUPAC(1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate
SMILESCC(C)N1CCC(OC(=O)C(C)(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)13-5-4-8(6-13)15-9(14)10(3,11)12/h7-8H,4-6H2,1-3H3
InChIKeyKFBIHMACGSYKJP-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.67
Rot. Bonds3

About (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate

(1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate (PubChem CID 58571505) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate
PubChem CID58571505
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate
SMILESCC(C)N1CCC(OC(=O)C(C)(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)13-5-4-8(6-13)15-9(14)10(3,11)12/h7-8H,4-6H2,1-3H3
InChIKeyKFBIHMACGSYKJP-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-propan-2-ylpyrrolidin-3-yl) 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 (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate?
The IUPAC name of (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate (CID 58571505) is (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate?
The canonical SMILES for (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate is CC(C)N1CCC(OC(=O)C(C)(F)F)C1.
What is the InChIKey of (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate?
The InChIKey is KFBIHMACGSYKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(2)13-5-4-8(6-13)15-9(14)10(3,11)12/h7-8H,4-6H2,1-3H3.
What are the key properties of (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate?
(1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate has a molecular weight of 221.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrolidin-3-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 58571505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).