3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane

C10H23F2NO — CID 170572079

IUPAC3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane
SMILESCC.CCOC.CN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N.C3H8O.C2H6/c1-8-3-2-5(6,7)4-8;1-3-4-2;1-2/h2-4H2,1H3;3H2,1-2H3;1-2H3
InChIKeyRNXOPRLDPKQYLM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.64
Rot. Bonds1

About 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane

3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane (PubChem CID 170572079) has the molecular formula C10H23F2NO and a molecular weight of 211.30 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane
PubChem CID170572079
Molecular FormulaC10H23F2NO
Molecular Weight211.30 g/mol
Exact Mass211.17
IUPAC Name3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane
SMILESCC.CCOC.CN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N.C3H8O.C2H6/c1-8-3-2-5(6,7)4-8;1-3-4-2;1-2/h2-4H2,1H3;3H2,1-2H3;1-2H3
InChIKeyRNXOPRLDPKQYLM-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.64
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-methylpyrrolidine;ethane;methoxyethane?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane (CID 170572079) is 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane is CC.CCOC.CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane?
The InChIKey is RNXOPRLDPKQYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C3H8O.C2H6/c1-8-3-2-5(6,7)4-8;1-3-4-2;1-2/h2-4H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane?
3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane has a molecular weight of 211.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidine;ethane;methoxyethane is sourced from PubChem (CID 170572079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).