(2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine

C11H16FN — CID 166976488

IUPAC(2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine
SMILESCCC/C1=C(F)/C(C)=N\C=C/CC1
InChIInChI=1S/C11H16FN/c1-3-6-10-7-4-5-8-13-9(2)11(10)12/h5,8H,3-4,6-7H2,1-2H3/b8-5-,11-10+,13-9-
InChIKeyREVVBXRAXWZPFQ-UOLHGIRDSA-N
MW181.25 g/mol
LogP3.78
Rot. Bonds2

About (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine

(2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine (PubChem CID 166976488) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine.

Molecular Properties

Compound Name(2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine
PubChem CID166976488
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine
SMILESCCC/C1=C(F)/C(C)=N\C=C/CC1
InChIInChI=1S/C11H16FN/c1-3-6-10-7-4-5-8-13-9(2)11(10)12/h5,8H,3-4,6-7H2,1-2H3/b8-5-,11-10+,13-9-
InChIKeyREVVBXRAXWZPFQ-UOLHGIRDSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine?
The IUPAC name of (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine (CID 166976488) is (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine.
What is the SMILES notation for (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine?
The canonical SMILES for (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine is CCC/C1=C(F)/C(C)=N\C=C/CC1.
What is the InChIKey of (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine?
The InChIKey is REVVBXRAXWZPFQ-UOLHGIRDSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-6-10-7-4-5-8-13-9(2)11(10)12/h5,8H,3-4,6-7H2,1-2H3/b8-5-,11-10+,13-9-.
What are the key properties of (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine?
(2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine has a molecular weight of 181.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-7-fluoro-8-methyl-6-propyl-4,5-dihydroazocine is sourced from PubChem (CID 166976488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).