8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane

C16H19FO4 — CID 166634138

IUPAC8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(OC)c(F)c1)C1COC2(CCCC2)OO1
InChIInChI=1S/C16H19FO4/c1-11(12-5-6-14(18-2)13(17)9-12)15-10-19-16(21-20-15)7-3-4-8-16/h5-6,9,15H,1,3-4,7-8,10H2,2H3
InChIKeyYBEOIQBEBRQZSN-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.46
Rot. Bonds3

About 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane

8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane (PubChem CID 166634138) has the molecular formula C16H19FO4 and a molecular weight of 294.32 g/mol. Its IUPAC name is 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
PubChem CID166634138
Molecular FormulaC16H19FO4
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(OC)c(F)c1)C1COC2(CCCC2)OO1
InChIInChI=1S/C16H19FO4/c1-11(12-5-6-14(18-2)13(17)9-12)15-10-19-16(21-20-15)7-3-4-8-16/h5-6,9,15H,1,3-4,7-8,10H2,2H3
InChIKeyYBEOIQBEBRQZSN-UHFFFAOYSA-N
XLogP3.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane 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

Verimol H
CID 85266197
Verimol C
CID 85187741
3-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 166625926
6-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]spiro[1,2,4-trioxane-3,2'-adamantane]
CID 166629123
8-[1-(4-Methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 44299790
1,3-Dioxolane, 2-[2-(4-benzyloxy)phenylethyl]-
CID 563840
6-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-3,3-dimethyl-1,2,4-trioxane
CID 166634377
8-[1-[4-[4-[1-(6,7,10-Trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 24880180
8-[1-[4-[2-[4-[1-(6,7,10-Trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]ethoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 25157540
8-[1-[4-[3-[4-[1-(6,7,10-Trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 25159213
8-[1-[4-(4-Phenylphenoxy)phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 49862786
Ethyl 2-[3-[1-(4-methoxyphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecan-9-ylidene]acetate
CID 11509043

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane (CID 166634138) is 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane is C=C(c1ccc(OC)c(F)c1)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is YBEOIQBEBRQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO4/c1-11(12-5-6-14(18-2)13(17)9-12)15-10-19-16(21-20-15)7-3-4-8-16/h5-6,9,15H,1,3-4,7-8,10H2,2H3.
What are the key properties of 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 294.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 166634138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).