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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Related Compounds

1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157913
n-Methoxyethyl-n-methylpyrrolidinium tetrafluoroborate
CID 87174992
1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157912
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
3,3-Difluoro-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57585794
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680061
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58215858

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).