8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene

C13H21FO — CID 90998043

IUPAC8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
SMILESCCC(=CC=CC(C)C=C(C)C)OCF
InChIInChI=1S/C13H21FO/c1-5-13(15-10-14)8-6-7-12(4)9-11(2)3/h6-9,12H,5,10H2,1-4H3
InChIKeyWUWNKVNIHDMGIW-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.38
Rot. Bonds6

About 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene

8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene (PubChem CID 90998043) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene.

Molecular Properties

Compound Name8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
PubChem CID90998043
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
SMILESCCC(=CC=CC(C)C=C(C)C)OCF
InChIInChI=1S/C13H21FO/c1-5-13(15-10-14)8-6-7-12(4)9-11(2)3/h6-9,12H,5,10H2,1-4H3
InChIKeyWUWNKVNIHDMGIW-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-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

(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
3-Ethyl-2-fluoro-1-methoxy-5,6-dimethylcyclohexa-1,3-diene
CID 68381402
4-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 70331713
5-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 89313764
(6R)-4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 89313771
3-Ethyl-6-(2-fluoro-2-methylbutoxy)hepta-1,3,5-triene
CID 90803999
2-Methoxy-4-(trifluoromethyl)hexa-2,4-diene
CID 123181980
(3Z,5Z)-4-fluoro-3-methoxy-2-methylhepta-1,3,5-triene
CID 126636645
(4E)-7-methyl-4-(trifluoromethoxy)octa-1,4,6-triene
CID 126745211
1-Fluoro-2-methyl-4-(2-methylpropoxy)cyclohexa-1,3-diene
CID 130224961
(7R)-5-fluoro-3,7-dimethyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 130224965
(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene
CID 134345598

Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene?
The IUPAC name of 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene (CID 90998043) is 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene.
What is the SMILES notation for 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene?
The canonical SMILES for 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene is CCC(=CC=CC(C)C=C(C)C)OCF.
What is the InChIKey of 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene?
The InChIKey is WUWNKVNIHDMGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-5-13(15-10-14)8-6-7-12(4)9-11(2)3/h6-9,12H,5,10H2,1-4H3.
What are the key properties of 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene?
8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene has a molecular weight of 212.31 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene is sourced from PubChem (CID 90998043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).