(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine

C11H18FN — CID 137399813

IUPAC(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
SMILESCCC1CC(C)C/C=C/N=C\C1F
InChIInChI=1S/C11H18FN/c1-3-10-7-9(2)5-4-6-13-8-11(10)12/h4,6,8-11H,3,5,7H2,1-2H3/b6-4+,13-8-
InChIKeyQQRLNEWIMZHXIY-GVVZRPPFSA-N
MW183.27 g/mol
LogP3.37
Rot. Bonds1

About (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine

(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine (PubChem CID 137399813) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine.

Molecular Properties

Compound Name(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
PubChem CID137399813
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
SMILESCCC1CC(C)C/C=C/N=C\C1F
InChIInChI=1S/C11H18FN/c1-3-10-7-9(2)5-4-6-13-8-11(10)12/h4,6,8-11H,3,5,7H2,1-2H3/b6-4+,13-8-
InChIKeyQQRLNEWIMZHXIY-GVVZRPPFSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine?
The IUPAC name of (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine (CID 137399813) is (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine.
What is the SMILES notation for (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine?
The canonical SMILES for (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine is CCC1CC(C)C/C=C/N=C\C1F.
What is the InChIKey of (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine?
The InChIKey is QQRLNEWIMZHXIY-GVVZRPPFSA-N. The full InChI is InChI=1S/C11H18FN/c1-3-10-7-9(2)5-4-6-13-8-11(10)12/h4,6,8-11H,3,5,7H2,1-2H3/b6-4+,13-8-.
What are the key properties of (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine?
(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine has a molecular weight of 183.27 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine is sourced from PubChem (CID 137399813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).