1-fluoro-6,6-dimethoxycyclohexa-1,4-diene

C8H11FO2 — CID 18324285

IUPAC1-fluoro-6,6-dimethoxycyclohexa-1,4-diene
SMILESCOC1(OC)C=CCC=C1F
InChIInChI=1S/C8H11FO2/c1-10-8(11-2)6-4-3-5-7(8)9/h4-6H,3H2,1-2H3
InChIKeyUEPUGSGSFXKFNR-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.79
Rot. Bonds2

About 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene

1-fluoro-6,6-dimethoxycyclohexa-1,4-diene (PubChem CID 18324285) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene.

Molecular Properties

Compound Name1-fluoro-6,6-dimethoxycyclohexa-1,4-diene
PubChem CID18324285
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Name1-fluoro-6,6-dimethoxycyclohexa-1,4-diene
SMILESCOC1(OC)C=CCC=C1F
InChIInChI=1S/C8H11FO2/c1-10-8(11-2)6-4-3-5-7(8)9/h4-6H,3H2,1-2H3
InChIKeyUEPUGSGSFXKFNR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3,6,6-Tetramethoxycyclohexa-1,4-diene
CID 598069
(2E)-1,1,1-trifluoro-4,4-dimethoxypent-2-ene
CID 137964206
7,7-Dimethoxycyclohepta-1,3,5-triene
CID 12814976
1,1-Dimethoxybenzene
CID 18445625
3-Fluoro-3-methoxycyclohexa-1,4-diene
CID 21305421
3-Fluoro-1,3-dimethoxycyclohexa-1,4-diene
CID 22350998
3-Ethyl-1-fluoro-3-(methoxymethoxy)cyclohexa-1,4-diene
CID 70281019
3,3-Dimethoxy-6-methyl-6-(trifluoromethyl)cyclohexa-1,4-diene;ethane
CID 141905813
3,3-Dimethoxy-6,6-dimethyl-cyclohexa-1,4-diene
CID 586332
3-Ethoxy-3-methoxycyclohexa-1,4-dien
CID 129651474
1,1,4,4-Trimethoxycyclohexa-2,5-dien
CID 129760296
3,3-Dimethoxy-6-methyl-6-(trifluoromethyl)cyclohexa-1,4-diene
CID 141905814

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene?
The IUPAC name of 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene (CID 18324285) is 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene.
What is the SMILES notation for 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene?
The canonical SMILES for 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene is COC1(OC)C=CCC=C1F.
What is the InChIKey of 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene?
The InChIKey is UEPUGSGSFXKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-10-8(11-2)6-4-3-5-7(8)9/h4-6H,3H2,1-2H3.
What are the key properties of 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene?
1-fluoro-6,6-dimethoxycyclohexa-1,4-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 1-fluoro-6,6-dimethoxycyclohexa-1,4-diene is sourced from PubChem (CID 18324285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).