3-fluoro-3-methylcyclooctene

C9H15F — CID 154031859

IUPAC3-fluoro-3-methylcyclooctene
SMILESCC1(F)C=CCCCCC1
InChIInChI=1S/C9H15F/c1-9(10)7-5-3-2-4-6-8-9/h5,7H,2-4,6,8H2,1H3
InChIKeyPGLHILYPIOPAKX-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.23
Rot. Bonds

About 3-fluoro-3-methylcyclooctene

3-fluoro-3-methylcyclooctene (PubChem CID 154031859) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-fluoro-3-methylcyclooctene.

Molecular Properties

Compound Name3-fluoro-3-methylcyclooctene
PubChem CID154031859
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name3-fluoro-3-methylcyclooctene
SMILESCC1(F)C=CCCCCC1
InChIInChI=1S/C9H15F/c1-9(10)7-5-3-2-4-6-8-9/h5,7H,2-4,6,8H2,1H3
InChIKeyPGLHILYPIOPAKX-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-fluoro-3-methylcyclooctene 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

(1Z)-3,3-difluorocyclooctene
CID 129263045
(2Z)-1-fluorocyclooct-2-ene-1-thiol
CID 174305731
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
(3R)-3-methyl-3-(2,3,5,6-tetrafluorophenyl)cycloheptene
CID 169282467
1-fluoro-1-methylcycloheptane
CID 57055784
3-methyl-3-methylcyclohexene
CID 163592791
(1Z)-3-fluoro-1,3-dimethylcyclooctene
CID 156533263
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cyclopentadecene
CID 5463009
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylcyclooctene?
The IUPAC name of 3-fluoro-3-methylcyclooctene (CID 154031859) is 3-fluoro-3-methylcyclooctene.
What is the SMILES notation for 3-fluoro-3-methylcyclooctene?
The canonical SMILES for 3-fluoro-3-methylcyclooctene is CC1(F)C=CCCCCC1.
What is the InChIKey of 3-fluoro-3-methylcyclooctene?
The InChIKey is PGLHILYPIOPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-9(10)7-5-3-2-4-6-8-9/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 3-fluoro-3-methylcyclooctene?
3-fluoro-3-methylcyclooctene has a molecular weight of 142.22 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylcyclooctene is sourced from PubChem (CID 154031859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).