1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene

C8H11FO — CID 67557170

IUPAC1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(C)CC=C1
InChIInChI=1S/C8H11FO/c1-6-4-3-5-7(10-2)8(6)9/h3,5-6H,4H2,1-2H3
InChIKeyNAPAYQSNGQXZLO-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.41
Rot. Bonds1

About 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene

1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene (PubChem CID 67557170) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
PubChem CID67557170
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(C)CC=C1
InChIInChI=1S/C8H11FO/c1-6-4-3-5-7(10-2)8(6)9/h3,5-6H,4H2,1-2H3
InChIKeyNAPAYQSNGQXZLO-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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene (CID 67557170) is 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene is COC1=C(F)C(C)CC=C1.
What is the InChIKey of 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The InChIKey is NAPAYQSNGQXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6-4-3-5-7(10-2)8(6)9/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
1-fluoro-2-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 1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 67557170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).