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

C8H11F — CID 89049672

IUPAC5-fluoro-2,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)C(F)C=C1
InChIInChI=1S/C8H11F/c1-6-3-4-8(9)7(2)5-6/h3-5,7-8H,1-2H3
InChIKeyDJHLNEYMBHSDPM-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.48
Rot. Bonds

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

5-fluoro-2,6-dimethylcyclohexa-1,3-diene (PubChem CID 89049672) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 5-fluoro-2,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-2,6-dimethylcyclohexa-1,3-diene
PubChem CID89049672
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name5-fluoro-2,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)C(F)C=C1
InChIInChI=1S/C8H11F/c1-6-3-4-8(9)7(2)5-6/h3-5,7-8H,1-2H3
InChIKeyDJHLNEYMBHSDPM-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-2,6-dimethylcyclohexa-1,3-diene (CID 89049672) is 5-fluoro-2,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-2,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-2,6-dimethylcyclohexa-1,3-diene is CC1=CC(C)C(F)C=C1.
What is the InChIKey of 5-fluoro-2,6-dimethylcyclohexa-1,3-diene?
The InChIKey is DJHLNEYMBHSDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-6-3-4-8(9)7(2)5-6/h3-5,7-8H,1-2H3.
What are the key properties of 5-fluoro-2,6-dimethylcyclohexa-1,3-diene?
5-fluoro-2,6-dimethylcyclohexa-1,3-diene has a molecular weight of 126.17 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 89049672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).