3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane

C9H19F2NO — CID 156798364

IUPAC3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane
SMILESCC.COCCN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NO.C2H6/c1-11-5-4-10-3-2-7(8,9)6-10;1-2/h2-6H2,1H3;1-2H3
InChIKeyFAVGQDMWVUWJEZ-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.00
Rot. Bonds3

About 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane

3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane (PubChem CID 156798364) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane
PubChem CID156798364
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane
SMILESCC.COCCN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NO.C2H6/c1-11-5-4-10-3-2-7(8,9)6-10;1-2/h2-6H2,1H3;1-2H3
InChIKeyFAVGQDMWVUWJEZ-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane?
The IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane (CID 156798364) is 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane?
The canonical SMILES for 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane is CC.COCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane?
The InChIKey is FAVGQDMWVUWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-11-5-4-10-3-2-7(8,9)6-10;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane?
3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane has a molecular weight of 195.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methoxyethyl)pyrrolidine;ethane is sourced from PubChem (CID 156798364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).