(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine

C9H12FN — CID 166991122

IUPAC(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine
SMILESC/C1=N/C=C(F)\C=C/CCC1
InChIInChI=1S/C9H12FN/c1-8-5-3-2-4-6-9(10)7-11-8/h4,6-7H,2-3,5H2,1H3/b6-4-,9-7+,11-8-
InChIKeyLMVYFPAFKDPMQJ-BGLYYDFRSA-N
MW153.20 g/mol
LogP3.00
Rot. Bonds

About (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine

(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine (PubChem CID 166991122) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine.

Molecular Properties

Compound Name(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine
PubChem CID166991122
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine
SMILESC/C1=N/C=C(F)\C=C/CCC1
InChIInChI=1S/C9H12FN/c1-8-5-3-2-4-6-9(10)7-11-8/h4,6-7H,2-3,5H2,1H3/b6-4-,9-7+,11-8-
InChIKeyLMVYFPAFKDPMQJ-BGLYYDFRSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine?
The IUPAC name of (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine (CID 166991122) is (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine.
What is the SMILES notation for (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine?
The canonical SMILES for (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine is C/C1=N/C=C(F)\C=C/CCC1.
What is the InChIKey of (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine?
The InChIKey is LMVYFPAFKDPMQJ-BGLYYDFRSA-N. The full InChI is InChI=1S/C9H12FN/c1-8-5-3-2-4-6-9(10)7-11-8/h4,6-7H,2-3,5H2,1H3/b6-4-,9-7+,11-8-.
What are the key properties of (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine?
(6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine has a molecular weight of 153.20 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-8-fluoro-2-methyl-4,5-dihydro-3H-azonine is sourced from PubChem (CID 166991122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).