2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene

C8H7F — CID 101410254

IUPAC2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene
SMILESC=c1ccc(F)cc1=C
InChIInChI=1S/C8H7F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H2
InChIKeyLTAZOKWPDBXTGJ-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.65
Rot. Bonds

About 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene

2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene (PubChem CID 101410254) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene
PubChem CID101410254
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene
SMILESC=c1ccc(F)cc1=C
InChIInChI=1S/C8H7F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H2
InChIKeyLTAZOKWPDBXTGJ-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 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene (CID 101410254) is 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene is C=c1ccc(F)cc1=C.
What is the InChIKey of 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene?
The InChIKey is LTAZOKWPDBXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H2.
What are the key properties of 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene?
2-fluoro-5,6-dimethylidenecyclohexa-1,3-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 2-fluoro-5,6-dimethylidenecyclohexa-1,3-diene is sourced from PubChem (CID 101410254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).