3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine

C8H15F2NO — CID 84656868

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)COCCC1CCNC1
InChIInChI=1S/C8H15F2NO/c9-8(10)6-12-4-2-7-1-3-11-5-7/h7-8,11H,1-6H2
InChIKeyFWVDWRIDCVORGX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.27
Rot. Bonds5

About 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine

3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine (PubChem CID 84656868) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine
PubChem CID84656868
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)COCCC1CCNC1
InChIInChI=1S/C8H15F2NO/c9-8(10)6-12-4-2-7-1-3-11-5-7/h7-8,11H,1-6H2
InChIKeyFWVDWRIDCVORGX-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine (CID 84656868) is 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine is FC(F)COCCC1CCNC1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine?
The InChIKey is FWVDWRIDCVORGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)6-12-4-2-7-1-3-11-5-7/h7-8,11H,1-6H2.
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine?
3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 84656868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).