3-(difluoromethoxymethyl)pyrrolidine

C6H11F2NO — CID 84716441

IUPAC3-(difluoromethoxymethyl)pyrrolidine
SMILESFC(F)OCC1CCNC1
InChIInChI=1S/C6H11F2NO/c7-6(8)10-4-5-1-2-9-3-5/h5-6,9H,1-4H2
InChIKeyVMUMALCEPHRWIF-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.84
Rot. Bonds3

About 3-(difluoromethoxymethyl)pyrrolidine

3-(difluoromethoxymethyl)pyrrolidine (PubChem CID 84716441) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)pyrrolidine
PubChem CID84716441
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3-(difluoromethoxymethyl)pyrrolidine
SMILESFC(F)OCC1CCNC1
InChIInChI=1S/C6H11F2NO/c7-6(8)10-4-5-1-2-9-3-5/h5-6,9H,1-4H2
InChIKeyVMUMALCEPHRWIF-UHFFFAOYSA-N
XLogP0.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)pyrrolidine?
The IUPAC name of 3-(difluoromethoxymethyl)pyrrolidine (CID 84716441) is 3-(difluoromethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(difluoromethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(difluoromethoxymethyl)pyrrolidine is FC(F)OCC1CCNC1.
What is the InChIKey of 3-(difluoromethoxymethyl)pyrrolidine?
The InChIKey is VMUMALCEPHRWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)10-4-5-1-2-9-3-5/h5-6,9H,1-4H2.
What are the key properties of 3-(difluoromethoxymethyl)pyrrolidine?
3-(difluoromethoxymethyl)pyrrolidine has a molecular weight of 151.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)pyrrolidine is sourced from PubChem (CID 84716441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).