2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine

C8H15F2NO — CID 166489046

IUPAC2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine
SMILESCCOCC1CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO/c1-3-12-5-7-4-8(9,10)6-11(7)2/h7H,3-6H2,1-2H3
InChIKeySYNCHRBQKDQJNW-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds3

About 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine

2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine (PubChem CID 166489046) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine
PubChem CID166489046
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine
SMILESCCOCC1CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO/c1-3-12-5-7-4-8(9,10)6-11(7)2/h7H,3-6H2,1-2H3
InChIKeySYNCHRBQKDQJNW-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bismethoxymethyl pyrrolidine
CID 22475505
(2R)-2-(methoxymethyl)-1-methylpyrrolidine
CID 57512644
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
(2S,4S)-4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 68087112
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
4-Fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 76646851
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
(4S)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89595711
(2R,4S)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89887889
(2R)-4-(2,2-difluoroethoxy)-1,2-dimethylpyrrolidine
CID 89945475
(2R)-1,2-dimethyl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 89945562
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine
CID 118303310

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine (CID 166489046) is 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine is CCOCC1CC(F)(F)CN1C.
What is the InChIKey of 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine?
The InChIKey is SYNCHRBQKDQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-3-12-5-7-4-8(9,10)6-11(7)2/h7H,3-6H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine?
2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 166489046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).