9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine

C12H20FN — CID 123243497

IUPAC9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine
SMILESCCC1(CC)CCC=CC(F)=CCN1
InChIInChI=1S/C12H20FN/c1-3-12(4-2)9-6-5-7-11(13)8-10-14-12/h5,7-8,14H,3-4,6,9-10H2,1-2H3
InChIKeyICDJCXOUGZTFNZ-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.34
Rot. Bonds2

About 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine

9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine (PubChem CID 123243497) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine.

Molecular Properties

Compound Name9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine
PubChem CID123243497
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine
SMILESCCC1(CC)CCC=CC(F)=CCN1
InChIInChI=1S/C12H20FN/c1-3-12(4-2)9-6-5-7-11(13)8-10-14-12/h5,7-8,14H,3-4,6,9-10H2,1-2H3
InChIKeyICDJCXOUGZTFNZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine?
The IUPAC name of 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine (CID 123243497) is 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine.
What is the SMILES notation for 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine?
The canonical SMILES for 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine is CCC1(CC)CCC=CC(F)=CCN1.
What is the InChIKey of 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine?
The InChIKey is ICDJCXOUGZTFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-3-12(4-2)9-6-5-7-11(13)8-10-14-12/h5,7-8,14H,3-4,6,9-10H2,1-2H3.
What are the key properties of 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine?
9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine has a molecular weight of 197.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-4-fluoro-1,2,7,8-tetrahydroazonine is sourced from PubChem (CID 123243497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).