3-[2-(difluoromethoxy)ethyl]pyrrolidine

C7H13F2NO — CID 84717019

IUPAC3-[2-(difluoromethoxy)ethyl]pyrrolidine
SMILESFC(F)OCCC1CCNC1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-4-2-6-1-3-10-5-6/h6-7,10H,1-5H2
InChIKeyZHSFSVLBLVEPDO-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.23
Rot. Bonds4

About 3-[2-(difluoromethoxy)ethyl]pyrrolidine

3-[2-(difluoromethoxy)ethyl]pyrrolidine (PubChem CID 84717019) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)ethyl]pyrrolidine
PubChem CID84717019
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-[2-(difluoromethoxy)ethyl]pyrrolidine
SMILESFC(F)OCCC1CCNC1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-4-2-6-1-3-10-5-6/h6-7,10H,1-5H2
InChIKeyZHSFSVLBLVEPDO-UHFFFAOYSA-N
XLogP1.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(difluoromethoxy)ethyl]pyrrolidine (CID 84717019) is 3-[2-(difluoromethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(difluoromethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(difluoromethoxy)ethyl]pyrrolidine is FC(F)OCCC1CCNC1.
What is the InChIKey of 3-[2-(difluoromethoxy)ethyl]pyrrolidine?
The InChIKey is ZHSFSVLBLVEPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)11-4-2-6-1-3-10-5-6/h6-7,10H,1-5H2.
What are the key properties of 3-[2-(difluoromethoxy)ethyl]pyrrolidine?
3-[2-(difluoromethoxy)ethyl]pyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 84717019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).