4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine

C7H14FNO — CID 76646851

IUPAC4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1CC(F)CN1C
InChIInChI=1S/C7H14FNO/c1-9-4-6(8)3-7(9)5-10-2/h6-7H,3-5H2,1-2H3
InChIKeyZBVKAQBAYPSQLX-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.68
Rot. Bonds2

About 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine

4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 76646851) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID76646851
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1CC(F)CN1C
InChIInChI=1S/C7H14FNO/c1-9-4-6(8)3-7(9)5-10-2/h6-7H,3-5H2,1-2H3
InChIKeyZBVKAQBAYPSQLX-UHFFFAOYSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bismethoxymethyl pyrrolidine
CID 22475505
(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine
CID 57110961
(2R)-2-(methoxymethyl)-1-methylpyrrolidine
CID 57512644
(s)-N-methyl-2-vinyloxymethylpyrrolidine
CID 59825166
(2S,4S)-4-fluoro-1-methanidyl-2-(methoxymethyl)pyrrolidin-1-ium
CID 57868379
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine
CID 59825183
((2S,4R)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol
CID 60002592
[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 60002610
(2S,4S)-4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 68087112
(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 68094075
[(2R,4R)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619547

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine (CID 76646851) is 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine is COCC1CC(F)CN1C.
What is the InChIKey of 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is ZBVKAQBAYPSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-6(8)3-7(9)5-10-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine?
4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 147.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 76646851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).