3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine

C8H16FNO2 — CID 88891893

IUPAC3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine
SMILESCCOOCC1(CF)CCNC1
InChIInChI=1S/C8H16FNO2/c1-2-11-12-7-8(5-9)3-4-10-6-8/h10H,2-7H2,1H3
InChIKeyYDDBWUGMMNAVKX-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.90
Rot. Bonds5

About 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine

3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine (PubChem CID 88891893) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine
PubChem CID88891893
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine
SMILESCCOOCC1(CF)CCNC1
InChIInChI=1S/C8H16FNO2/c1-2-11-12-7-8(5-9)3-4-10-6-8/h10H,2-7H2,1H3
InChIKeyYDDBWUGMMNAVKX-UHFFFAOYSA-N
XLogP0.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine?
The IUPAC name of 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine (CID 88891893) is 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine.
What is the SMILES notation for 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine?
The canonical SMILES for 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine is CCOOCC1(CF)CCNC1.
What is the InChIKey of 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine?
The InChIKey is YDDBWUGMMNAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-2-11-12-7-8(5-9)3-4-10-6-8/h10H,2-7H2,1H3.
What are the key properties of 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine?
3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine has a molecular weight of 177.22 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylperoxymethyl)-3-(fluoromethyl)pyrrolidine is sourced from PubChem (CID 88891893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).