3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite

C9H20FNO3 — CID 170772093

IUPAC3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
SMILESCOCCN1CCC(OC)C1.COF
InChIInChI=1S/C8H17NO2.CH3FO/c1-10-6-5-9-4-3-8(7-9)11-2;1-3-2/h8H,3-7H2,1-2H3;1H3
InChIKeyJWMXBNZFQZICGR-UHFFFAOYSA-N
MW209.26 g/mol
LogP0.87
Rot. Bonds4

About 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite

3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite (PubChem CID 170772093) has the molecular formula C9H20FNO3 and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite.

Molecular Properties

Compound Name3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
PubChem CID170772093
Molecular FormulaC9H20FNO3
Molecular Weight209.26 g/mol
Exact Mass209.14
IUPAC Name3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
SMILESCOCCN1CCC(OC)C1.COF
InChIInChI=1S/C8H17NO2.CH3FO/c1-10-6-5-9-4-3-8(7-9)11-2;1-3-2/h8H,3-7H2,1-2H3;1H3
InChIKeyJWMXBNZFQZICGR-UHFFFAOYSA-N
XLogP0.87
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 124748320
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite?
The IUPAC name of 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite (CID 170772093) is 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite.
What is the SMILES notation for 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite?
The canonical SMILES for 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite is COCCN1CCC(OC)C1.COF.
What is the InChIKey of 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite?
The InChIKey is JWMXBNZFQZICGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.CH3FO/c1-10-6-5-9-4-3-8(7-9)11-2;1-3-2/h8H,3-7H2,1-2H3;1H3.
What are the key properties of 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite?
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite has a molecular weight of 209.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite is sourced from PubChem (CID 170772093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).