2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine

C12H22FNO — CID 167046612

IUPAC2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine
SMILESCNCCOC1CC/C=C\C(C)(F)CC1
InChIInChI=1S/C12H22FNO/c1-12(13)7-4-3-5-11(6-8-12)15-10-9-14-2/h4,7,11,14H,3,5-6,8-10H2,1-2H3/b7-4-
InChIKeyGAVBJKPPGPUHPO-DAXSKMNVSA-N
MW215.31 g/mol
LogP2.45
Rot. Bonds4

About 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine

2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine (PubChem CID 167046612) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine
PubChem CID167046612
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine
SMILESCNCCOC1CC/C=C\C(C)(F)CC1
InChIInChI=1S/C12H22FNO/c1-12(13)7-4-3-5-11(6-8-12)15-10-9-14-2/h4,7,11,14H,3,5-6,8-10H2,1-2H3/b7-4-
InChIKeyGAVBJKPPGPUHPO-DAXSKMNVSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 156282317
CID 156282317
CID 167046762
CID 167046762
CID 68017958
CID 68017958
CID 77387394
CID 77387394
CID 145335649
CID 145335649
CID 156282318
CID 156282318

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine (CID 167046612) is 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine is CNCCOC1CC/C=C\C(C)(F)CC1.
What is the InChIKey of 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine?
The InChIKey is GAVBJKPPGPUHPO-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13)7-4-3-5-11(6-8-12)15-10-9-14-2/h4,7,11,14H,3,5-6,8-10H2,1-2H3/b7-4-.
What are the key properties of 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine?
2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine has a molecular weight of 215.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine is sourced from PubChem (CID 167046612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).