(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine

C8H10FN — CID 166689655

IUPAC(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine
SMILESC/C1=N/C=C(F)\C=C/CC1
InChIInChI=1S/C8H10FN/c1-7-4-2-3-5-8(9)6-10-7/h3,5-6H,2,4H2,1H3/b5-3-,8-6+,10-7-
InChIKeySTJBAZGDTXTYDY-OXCXNJLASA-N
MW139.17 g/mol
LogP2.61
Rot. Bonds

About (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine

(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine (PubChem CID 166689655) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine.

Molecular Properties

Compound Name(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine
PubChem CID166689655
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine
SMILESC/C1=N/C=C(F)\C=C/CC1
InChIInChI=1S/C8H10FN/c1-7-4-2-3-5-8(9)6-10-7/h3,5-6H,2,4H2,1H3/b5-3-,8-6+,10-7-
InChIKeySTJBAZGDTXTYDY-OXCXNJLASA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine?
The IUPAC name of (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine (CID 166689655) is (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine.
What is the SMILES notation for (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine?
The canonical SMILES for (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine is C/C1=N/C=C(F)\C=C/CC1.
What is the InChIKey of (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine?
The InChIKey is STJBAZGDTXTYDY-OXCXNJLASA-N. The full InChI is InChI=1S/C8H10FN/c1-7-4-2-3-5-8(9)6-10-7/h3,5-6H,2,4H2,1H3/b5-3-,8-6+,10-7-.
What are the key properties of (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine?
(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine has a molecular weight of 139.17 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine is sourced from PubChem (CID 166689655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).