4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine

C8H15F2NO — CID 77335280

IUPAC4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine
SMILESCC1CC(COC(F)F)CN1C
InChIInChI=1S/C8H15F2NO/c1-6-3-7(4-11(6)2)5-12-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyGXGGNIQWBNKQPJ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.57
Rot. Bonds3

About 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine

4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine (PubChem CID 77335280) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine
PubChem CID77335280
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine
SMILESCC1CC(COC(F)F)CN1C
InChIInChI=1S/C8H15F2NO/c1-6-3-7(4-11(6)2)5-12-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyGXGGNIQWBNKQPJ-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine?
The IUPAC name of 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine (CID 77335280) is 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine.
What is the SMILES notation for 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine?
The canonical SMILES for 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine is CC1CC(COC(F)F)CN1C.
What is the InChIKey of 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine?
The InChIKey is GXGGNIQWBNKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-3-7(4-11(6)2)5-12-8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine?
4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 77335280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).