1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine

C15H30FNO — CID 170061753

IUPAC1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine
SMILESCCCC(CCC(C)(C)C)N1CC(OCCF)C1
InChIInChI=1S/C15H30FNO/c1-5-6-13(7-8-15(2,3)4)17-11-14(12-17)18-10-9-16/h13-14H,5-12H2,1-4H3
InChIKeyLMXKMATWXMFHPM-UHFFFAOYSA-N
MW259.41 g/mol
LogP3.65
Rot. Bonds8

About 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine

1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine (PubChem CID 170061753) has the molecular formula C15H30FNO and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine.

Molecular Properties

Compound Name1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine
PubChem CID170061753
Molecular FormulaC15H30FNO
Molecular Weight259.41 g/mol
Exact Mass259.23
IUPAC Name1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine
SMILESCCCC(CCC(C)(C)C)N1CC(OCCF)C1
InChIInChI=1S/C15H30FNO/c1-5-6-13(7-8-15(2,3)4)17-11-14(12-17)18-10-9-16/h13-14H,5-12H2,1-4H3
InChIKeyLMXKMATWXMFHPM-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine?
The IUPAC name of 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine (CID 170061753) is 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine.
What is the SMILES notation for 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine?
The canonical SMILES for 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine is CCCC(CCC(C)(C)C)N1CC(OCCF)C1.
What is the InChIKey of 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine?
The InChIKey is LMXKMATWXMFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FNO/c1-5-6-13(7-8-15(2,3)4)17-11-14(12-17)18-10-9-16/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine?
1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine has a molecular weight of 259.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyloctan-4-yl)-3-(2-fluoroethoxy)azetidine is sourced from PubChem (CID 170061753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).