1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine

C13H26FN — CID 138579724

IUPAC1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine
SMILESCC(C)CCC(CC(C)C)N1CC(F)C1
InChIInChI=1S/C13H26FN/c1-10(2)5-6-13(7-11(3)4)15-8-12(14)9-15/h10-13H,5-9H2,1-4H3
InChIKeyKPKACMYMGHFMFZ-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.49
Rot. Bonds6

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

1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine (PubChem CID 138579724) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine
PubChem CID138579724
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine
SMILESCC(C)CCC(CC(C)C)N1CC(F)C1
InChIInChI=1S/C13H26FN/c1-10(2)5-6-13(7-11(3)4)15-8-12(14)9-15/h10-13H,5-9H2,1-4H3
InChIKeyKPKACMYMGHFMFZ-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine?
The IUPAC name of 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine (CID 138579724) is 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine.
What is the SMILES notation for 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine?
The canonical SMILES for 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine is CC(C)CCC(CC(C)C)N1CC(F)C1.
What is the InChIKey of 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine?
The InChIKey is KPKACMYMGHFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-10(2)5-6-13(7-11(3)4)15-8-12(14)9-15/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine?
1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine has a molecular weight of 215.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyloctan-4-yl)-3-fluoroazetidine is sourced from PubChem (CID 138579724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).