5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine

C12H22FN — CID 123908512

IUPAC5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
SMILESCNC1C=CCC(C)(F)CCC1(C)C
InChIInChI=1S/C12H22FN/c1-11(2)8-9-12(3,13)7-5-6-10(11)14-4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyCIZHUWUOMQWNNM-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.07
Rot. Bonds1

About 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine

5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine (PubChem CID 123908512) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine.

Molecular Properties

Compound Name5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
PubChem CID123908512
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
SMILESCNC1C=CCC(C)(F)CCC1(C)C
InChIInChI=1S/C12H22FN/c1-11(2)8-9-12(3,13)7-5-6-10(11)14-4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyCIZHUWUOMQWNNM-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine?
The IUPAC name of 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine (CID 123908512) is 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine.
What is the SMILES notation for 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine?
The canonical SMILES for 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine is CNC1C=CCC(C)(F)CCC1(C)C.
What is the InChIKey of 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine?
The InChIKey is CIZHUWUOMQWNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(2)8-9-12(3,13)7-5-6-10(11)14-4/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine?
5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine is sourced from PubChem (CID 123908512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).