7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine

C11H14F2N2 — CID 162606382

IUPAC7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine
SMILESC=C(C)C(F)(F)C1=C/N=C(/N)CCC=C1
InChIInChI=1S/C11H14F2N2/c1-8(2)11(12,13)9-5-3-4-6-10(14)15-7-9/h3,5,7H,1,4,6H2,2H3,(H2,14,15)
InChIKeyUXAZVGUFAHGFNV-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.79
Rot. Bonds2

About 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine

7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine (PubChem CID 162606382) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine.

Molecular Properties

Compound Name7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine
PubChem CID162606382
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine
SMILESC=C(C)C(F)(F)C1=C/N=C(/N)CCC=C1
InChIInChI=1S/C11H14F2N2/c1-8(2)11(12,13)9-5-3-4-6-10(14)15-7-9/h3,5,7H,1,4,6H2,2H3,(H2,14,15)
InChIKeyUXAZVGUFAHGFNV-UHFFFAOYSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine?
The IUPAC name of 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine (CID 162606382) is 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine.
What is the SMILES notation for 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine?
The canonical SMILES for 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine is C=C(C)C(F)(F)C1=C/N=C(/N)CCC=C1.
What is the InChIKey of 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine?
The InChIKey is UXAZVGUFAHGFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-8(2)11(12,13)9-5-3-4-6-10(14)15-7-9/h3,5,7H,1,4,6H2,2H3,(H2,14,15).
What are the key properties of 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine?
7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine has a molecular weight of 212.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine is sourced from PubChem (CID 162606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).