3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine

C7H13F2NO — CID 168881555

IUPAC3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1N(C)CCC1(F)F
InChIInChI=1S/C7H13F2NO/c1-10-4-3-7(8,9)6(10)5-11-2/h6H,3-5H2,1-2H3
InChIKeyXTNYDVFIJIWIMY-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.97
Rot. Bonds2

About 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine

3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 168881555) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID168881555
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1N(C)CCC1(F)F
InChIInChI=1S/C7H13F2NO/c1-10-4-3-7(8,9)6(10)5-11-2/h6H,3-5H2,1-2H3
InChIKeyXTNYDVFIJIWIMY-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine (CID 168881555) is 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine is COCC1N(C)CCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is XTNYDVFIJIWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-4-3-7(8,9)6(10)5-11-2/h6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine?
3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 168881555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).