1-(difluoromethoxy)cyclohexa-1,4-diene

C7H8F2O — CID 91189554

IUPAC1-(difluoromethoxy)cyclohexa-1,4-diene
SMILESFC(F)OC1=CCC=CC1
InChIInChI=1S/C7H8F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-2,5,7H,3-4H2
InChIKeyRAFUTLLZUOFKLL-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.46
Rot. Bonds2

About 1-(difluoromethoxy)cyclohexa-1,4-diene

1-(difluoromethoxy)cyclohexa-1,4-diene (PubChem CID 91189554) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(difluoromethoxy)cyclohexa-1,4-diene.

Molecular Properties

Compound Name1-(difluoromethoxy)cyclohexa-1,4-diene
PubChem CID91189554
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1-(difluoromethoxy)cyclohexa-1,4-diene
SMILESFC(F)OC1=CCC=CC1
InChIInChI=1S/C7H8F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-2,5,7H,3-4H2
InChIKeyRAFUTLLZUOFKLL-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)cyclohexa-1,4-diene?
The IUPAC name of 1-(difluoromethoxy)cyclohexa-1,4-diene (CID 91189554) is 1-(difluoromethoxy)cyclohexa-1,4-diene.
What is the SMILES notation for 1-(difluoromethoxy)cyclohexa-1,4-diene?
The canonical SMILES for 1-(difluoromethoxy)cyclohexa-1,4-diene is FC(F)OC1=CCC=CC1.
What is the InChIKey of 1-(difluoromethoxy)cyclohexa-1,4-diene?
The InChIKey is RAFUTLLZUOFKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-2,5,7H,3-4H2.
What are the key properties of 1-(difluoromethoxy)cyclohexa-1,4-diene?
1-(difluoromethoxy)cyclohexa-1,4-diene has a molecular weight of 146.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)cyclohexa-1,4-diene is sourced from PubChem (CID 91189554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).