1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene

C8H10F2O — CID 129196388

IUPAC1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1C(F)=C(F)C=CC1C
InChIInChI=1S/C8H10F2O/c1-5-3-4-6(9)7(10)8(5)11-2/h3-5,8H,1-2H3
InChIKeyVRZPVCOTNCQVHR-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.36
Rot. Bonds1

About 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene

1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene (PubChem CID 129196388) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene
PubChem CID129196388
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1C(F)=C(F)C=CC1C
InChIInChI=1S/C8H10F2O/c1-5-3-4-6(9)7(10)8(5)11-2/h3-5,8H,1-2H3
InChIKeyVRZPVCOTNCQVHR-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene (CID 129196388) is 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene is COC1C(F)=C(F)C=CC1C.
What is the InChIKey of 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is VRZPVCOTNCQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-5-3-4-6(9)7(10)8(5)11-2/h3-5,8H,1-2H3.
What are the key properties of 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene?
1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-6-methoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 129196388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).