2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine

C9H17F2NO — CID 90392461

IUPAC2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOC(C)(F)F
InChIInChI=1S/C9H17F2NO/c1-9(10,11)13-7-5-8-4-3-6-12(8)2/h8H,3-7H2,1-2H3
InChIKeyVVQINUOIXQNUCF-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine

2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine (PubChem CID 90392461) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine
PubChem CID90392461
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOC(C)(F)F
InChIInChI=1S/C9H17F2NO/c1-9(10,11)13-7-5-8-4-3-6-12(8)2/h8H,3-7H2,1-2H3
InChIKeyVVQINUOIXQNUCF-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine (CID 90392461) is 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine is CN1CCCC1CCOC(C)(F)F.
What is the InChIKey of 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is VVQINUOIXQNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(10,11)13-7-5-8-4-3-6-12(8)2/h8H,3-7H2,1-2H3.
What are the key properties of 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine?
2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 90392461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).