1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine

C8H16FNO — CID 123621807

IUPAC1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine
SMILESCCOCCN1CC(CF)C1
InChIInChI=1S/C8H16FNO/c1-2-11-4-3-10-6-8(5-9)7-10/h8H,2-7H2,1H3
InChIKeyRDRUOIPHPOBBRE-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.92
Rot. Bonds5

About 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine

1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine (PubChem CID 123621807) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine
PubChem CID123621807
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine
SMILESCCOCCN1CC(CF)C1
InChIInChI=1S/C8H16FNO/c1-2-11-4-3-10-6-8(5-9)7-10/h8H,2-7H2,1H3
InChIKeyRDRUOIPHPOBBRE-UHFFFAOYSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-3-methyl-1-(2-methylpropyl)azetidine
CID 15208627
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
[2-Fluoro-2-(2-methylpropoxy)propyl]-trimethylazanium
CID 87169781
[3-Fluoro-2-(2-methylpropoxy)propyl]-trimethylazanium
CID 87169782
4-(3-Fluoro-2-methylpropyl)morpholine
CID 89246641
3-(Fluoromethyl)-1-(2-methoxyethyl)azetidine
CID 123322216
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
3-(Difluoromethyl)-1-(2-methoxyethyl)azetidine
CID 137445424
3,3-Difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
CID 138607648
3-(Difluoromethoxy)-1-(2-methylpropyl)azetidine
CID 139457541
3-(3-Fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
CID 142616577
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine?
The IUPAC name of 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine (CID 123621807) is 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine is CCOCCN1CC(CF)C1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine?
The InChIKey is RDRUOIPHPOBBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-11-4-3-10-6-8(5-9)7-10/h8H,2-7H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine?
1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine has a molecular weight of 161.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(fluoromethyl)azetidine is sourced from PubChem (CID 123621807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).