5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene

C8H10F2O — CID 89337031

IUPAC5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CC(OC(F)F)C1
InChIInChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h2-4,7-8H,5H2,1H3
InChIKeyBCMJOSAPRJMFOO-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.50
Rot. Bonds2

About 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene

5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene (PubChem CID 89337031) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
PubChem CID89337031
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CC(OC(F)F)C1
InChIInChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h2-4,7-8H,5H2,1H3
InChIKeyBCMJOSAPRJMFOO-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene (CID 89337031) is 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene is CC1=CC=CC(OC(F)F)C1.
What is the InChIKey of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The InChIKey is BCMJOSAPRJMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h2-4,7-8H,5H2,1H3.
What are the key properties of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 89337031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).