3-(difluoromethoxymethyl)-1-methylpyrrolidine

C7H13F2NO — CID 131106863

IUPAC3-(difluoromethoxymethyl)-1-methylpyrrolidine
SMILESCN1CCC(COC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-2-6(4-10)5-11-7(8)9/h6-7H,2-5H2,1H3
InChIKeyWJHQVXZPEVHHFC-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.18
Rot. Bonds3

About 3-(difluoromethoxymethyl)-1-methylpyrrolidine

3-(difluoromethoxymethyl)-1-methylpyrrolidine (PubChem CID 131106863) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-methylpyrrolidine
PubChem CID131106863
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(difluoromethoxymethyl)-1-methylpyrrolidine
SMILESCN1CCC(COC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-2-6(4-10)5-11-7(8)9/h6-7H,2-5H2,1H3
InChIKeyWJHQVXZPEVHHFC-UHFFFAOYSA-N
XLogP1.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-methylpyrrolidine (CID 131106863) is 3-(difluoromethoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-methylpyrrolidine is CN1CCC(COC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-methylpyrrolidine?
The InChIKey is WJHQVXZPEVHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-3-2-6(4-10)5-11-7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 3-(difluoromethoxymethyl)-1-methylpyrrolidine?
3-(difluoromethoxymethyl)-1-methylpyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 131106863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).