5-fluoro-1,5-dimethoxycyclohexa-1,3-diene

C8H11FO2 — CID 90388477

IUPAC5-fluoro-1,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CC=CC(F)(OC)C1
InChIInChI=1S/C8H11FO2/c1-10-7-4-3-5-8(9,6-7)11-2/h3-5H,6H2,1-2H3
InChIKeyPNJODNLJXQJHRK-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.79
Rot. Bonds2

About 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene

5-fluoro-1,5-dimethoxycyclohexa-1,3-diene (PubChem CID 90388477) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-1,5-dimethoxycyclohexa-1,3-diene
PubChem CID90388477
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Name5-fluoro-1,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CC=CC(F)(OC)C1
InChIInChI=1S/C8H11FO2/c1-10-7-4-3-5-8(9,6-7)11-2/h3-5H,6H2,1-2H3
InChIKeyPNJODNLJXQJHRK-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene (CID 90388477) is 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene is COC1=CC=CC(F)(OC)C1.
What is the InChIKey of 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is PNJODNLJXQJHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-10-7-4-3-5-8(9,6-7)11-2/h3-5H,6H2,1-2H3.
What are the key properties of 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
5-fluoro-1,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 158.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 90388477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).