1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene

C8H7F — CID 22182860

IUPAC1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1ccc(=C)c(F)c1
InChIInChI=1S/C8H7F/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H2
InChIKeyWPEZTDBQOCHWJB-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.65
Rot. Bonds

About 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene

1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 22182860) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID22182860
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1ccc(=C)c(F)c1
InChIInChI=1S/C8H7F/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H2
InChIKeyWPEZTDBQOCHWJB-UHFFFAOYSA-N
XLogP0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene (CID 22182860) is 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene is C=c1ccc(=C)c(F)c1.
What is the InChIKey of 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is WPEZTDBQOCHWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H2.
What are the key properties of 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene?
1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 122.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 22182860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).