2,5-bis(difluoromethoxymethyl)pyrrolidine

C8H13F4NO2 — CID 156774172

IUPAC2,5-bis(difluoromethoxymethyl)pyrrolidine
SMILESFC(F)OCC1CCC(COC(F)F)N1
InChIInChI=1S/C8H13F4NO2/c9-7(10)14-3-5-1-2-6(13-5)4-15-8(11)12/h5-8,13H,1-4H2
InChIKeyKHLZDNRQFZJARZ-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.59
Rot. Bonds6

About 2,5-bis(difluoromethoxymethyl)pyrrolidine

2,5-bis(difluoromethoxymethyl)pyrrolidine (PubChem CID 156774172) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 2,5-bis(difluoromethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2,5-bis(difluoromethoxymethyl)pyrrolidine
PubChem CID156774172
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name2,5-bis(difluoromethoxymethyl)pyrrolidine
SMILESFC(F)OCC1CCC(COC(F)F)N1
InChIInChI=1S/C8H13F4NO2/c9-7(10)14-3-5-1-2-6(13-5)4-15-8(11)12/h5-8,13H,1-4H2
InChIKeyKHLZDNRQFZJARZ-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(difluoromethoxymethyl)pyrrolidine?
The IUPAC name of 2,5-bis(difluoromethoxymethyl)pyrrolidine (CID 156774172) is 2,5-bis(difluoromethoxymethyl)pyrrolidine.
What is the SMILES notation for 2,5-bis(difluoromethoxymethyl)pyrrolidine?
The canonical SMILES for 2,5-bis(difluoromethoxymethyl)pyrrolidine is FC(F)OCC1CCC(COC(F)F)N1.
What is the InChIKey of 2,5-bis(difluoromethoxymethyl)pyrrolidine?
The InChIKey is KHLZDNRQFZJARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c9-7(10)14-3-5-1-2-6(13-5)4-15-8(11)12/h5-8,13H,1-4H2.
What are the key properties of 2,5-bis(difluoromethoxymethyl)pyrrolidine?
2,5-bis(difluoromethoxymethyl)pyrrolidine has a molecular weight of 231.19 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(difluoromethoxymethyl)pyrrolidine is sourced from PubChem (CID 156774172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).