pyrrolidin-1-ylmethyl 2,2-difluoropropanoate

C8H13F2NO2 — CID 58341576

IUPACpyrrolidin-1-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCN1CCCC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)7(12)13-6-11-4-2-3-5-11/h2-6H2,1H3
InChIKeySMYXRAIDCLERSE-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.24
Rot. Bonds3

About pyrrolidin-1-ylmethyl 2,2-difluoropropanoate

pyrrolidin-1-ylmethyl 2,2-difluoropropanoate (PubChem CID 58341576) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is pyrrolidin-1-ylmethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Namepyrrolidin-1-ylmethyl 2,2-difluoropropanoate
PubChem CID58341576
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namepyrrolidin-1-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCN1CCCC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)7(12)13-6-11-4-2-3-5-11/h2-6H2,1H3
InChIKeySMYXRAIDCLERSE-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylmethyl 2,2-difluoropropanoate?
The IUPAC name of pyrrolidin-1-ylmethyl 2,2-difluoropropanoate (CID 58341576) is pyrrolidin-1-ylmethyl 2,2-difluoropropanoate.
What is the SMILES notation for pyrrolidin-1-ylmethyl 2,2-difluoropropanoate?
The canonical SMILES for pyrrolidin-1-ylmethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCN1CCCC1.
What is the InChIKey of pyrrolidin-1-ylmethyl 2,2-difluoropropanoate?
The InChIKey is SMYXRAIDCLERSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)7(12)13-6-11-4-2-3-5-11/h2-6H2,1H3.
What are the key properties of pyrrolidin-1-ylmethyl 2,2-difluoropropanoate?
pyrrolidin-1-ylmethyl 2,2-difluoropropanoate has a molecular weight of 193.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylmethyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).