(5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine

C11H20FN — CID 89250018

IUPAC(5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine
SMILESCC(C)(CF)N1CC/C=C\CCC1
InChIInChI=1S/C11H20FN/c1-11(2,10-12)13-8-6-4-3-5-7-9-13/h3-4H,5-10H2,1-2H3/b4-3-
InChIKeyXXZNSZHDDFHQDO-ARJAWSKDSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds2

About (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine

(5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine (PubChem CID 89250018) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine
PubChem CID89250018
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine
SMILESCC(C)(CF)N1CC/C=C\CCC1
InChIInChI=1S/C11H20FN/c1-11(2,10-12)13-8-6-4-3-5-7-9-13/h3-4H,5-10H2,1-2H3/b4-3-
InChIKeyXXZNSZHDDFHQDO-ARJAWSKDSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine?
The IUPAC name of (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine (CID 89250018) is (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine.
What is the SMILES notation for (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine?
The canonical SMILES for (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine is CC(C)(CF)N1CC/C=C\CCC1.
What is the InChIKey of (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine?
The InChIKey is XXZNSZHDDFHQDO-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H20FN/c1-11(2,10-12)13-8-6-4-3-5-7-9-13/h3-4H,5-10H2,1-2H3/b4-3-.
What are the key properties of (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine?
(5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(1-fluoro-2-methylpropan-2-yl)-3,4,7,8-tetrahydro-2H-azocine is sourced from PubChem (CID 89250018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).