8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene

C15H23FO — CID 123444530

IUPAC8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene
SMILESCCC1(CC)CC=C(OC)C=C(F)C(C)=CC1
InChIInChI=1S/C15H23FO/c1-5-15(6-2)9-7-12(3)14(16)11-13(17-4)8-10-15/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyFFSOMZNDIIQWJG-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.92
Rot. Bonds3

About 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene

8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene (PubChem CID 123444530) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene.

Molecular Properties

Compound Name8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene
PubChem CID123444530
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene
SMILESCCC1(CC)CC=C(OC)C=C(F)C(C)=CC1
InChIInChI=1S/C15H23FO/c1-5-15(6-2)9-7-12(3)14(16)11-13(17-4)8-10-15/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyFFSOMZNDIIQWJG-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyl-1-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 126571040
(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene
CID 129196267
2-Fluoro-3-methoxy-5,5-dimethylcyclohexa-1,3-diene
CID 132040099
5-Fluoro-2-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 143333930
(2Z,4E,7E)-5-ethenyl-8-fluoro-4-methoxydeca-2,4,7-triene
CID 143562536
(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene
CID 145173234
(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 145367161
(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene
CID 145386644
3-Fluoro-4-methoxy-1,7,7-trimethylcyclohepta-1,3,5-triene
CID 164032726
3-Fluoro-2-methoxy-6-methylcyclonona-1,3,6-triene
CID 173750196
(3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene
CID 145144131
Lithium 2-tert-butyl-1-methoxy-4-methylbenzene-6-ide
CID 57534114

Frequently Asked Questions

What is the IUPAC name of 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene?
The IUPAC name of 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene (CID 123444530) is 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene.
What is the SMILES notation for 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene?
The canonical SMILES for 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene is CCC1(CC)CC=C(OC)C=C(F)C(C)=CC1.
What is the InChIKey of 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene?
The InChIKey is FFSOMZNDIIQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-5-15(6-2)9-7-12(3)14(16)11-13(17-4)8-10-15/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene?
8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene has a molecular weight of 238.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene is sourced from PubChem (CID 123444530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).