3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene

C8H11FO — CID 70225784

IUPAC3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=CC(F)=CCC1C
InChIInChI=1S/C8H11FO/c1-6-3-4-7(9)5-8(6)10-2/h4-6H,3H2,1-2H3
InChIKeyRYJZIRKGYIZFKQ-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.41
Rot. Bonds1

About 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene

3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene (PubChem CID 70225784) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
PubChem CID70225784
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=CC(F)=CCC1C
InChIInChI=1S/C8H11FO/c1-6-3-4-7(9)5-8(6)10-2/h4-6H,3H2,1-2H3
InChIKeyRYJZIRKGYIZFKQ-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Cyclohexadiene, 1-methoxy-3-methyl-
CID 12239936
3,3-Dimethylanisol
CID 68229763
2-Ethyl-5-methyl-5,6-dihydro-(4h)-pyran
CID 91167446
1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
3-Fluoro-1-methoxycyclohexa-1,3-diene
CID 21416452
2-Fluoro-1-methoxycyclohexa-1,3-diene
CID 22611731
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
1-Fluoro-4-methoxycyclohexa-1,3-diene
CID 68203752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene (CID 70225784) is 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene is COC1=CC(F)=CCC1C.
What is the InChIKey of 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene?
The InChIKey is RYJZIRKGYIZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6-3-4-7(9)5-8(6)10-2/h4-6H,3H2,1-2H3.
What are the key properties of 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene?
3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70225784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).