1-(3-ethoxypropyl)-3-fluoroazetidine

C8H16FNO — CID 118973290

IUPAC1-(3-ethoxypropyl)-3-fluoroazetidine
SMILESCCOCCCN1CC(F)C1
InChIInChI=1S/C8H16FNO/c1-2-11-5-3-4-10-6-8(9)7-10/h8H,2-7H2,1H3
InChIKeyWUJGSGQPPWNCRS-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds5

About 1-(3-ethoxypropyl)-3-fluoroazetidine

1-(3-ethoxypropyl)-3-fluoroazetidine (PubChem CID 118973290) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-fluoroazetidine
PubChem CID118973290
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(3-ethoxypropyl)-3-fluoroazetidine
SMILESCCOCCCN1CC(F)C1
InChIInChI=1S/C8H16FNO/c1-2-11-5-3-4-10-6-8(9)7-10/h8H,2-7H2,1H3
InChIKeyWUJGSGQPPWNCRS-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
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-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine
CID 121357704
N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
CID 121359017
3-Fluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262373
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319
3-Fluoro-1-(3-methoxypropyl)azetidine
CID 130270363
3,3-Difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 138607645
3-Fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
CID 140959055
3-(3-Fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
CID 142616577
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-fluoroazetidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-fluoroazetidine (CID 118973290) is 1-(3-ethoxypropyl)-3-fluoroazetidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-fluoroazetidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-fluoroazetidine is CCOCCCN1CC(F)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-fluoroazetidine?
The InChIKey is WUJGSGQPPWNCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-11-5-3-4-10-6-8(9)7-10/h8H,2-7H2,1H3.
What are the key properties of 1-(3-ethoxypropyl)-3-fluoroazetidine?
1-(3-ethoxypropyl)-3-fluoroazetidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-fluoroazetidine is sourced from PubChem (CID 118973290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).