3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene

C8H6F2 — CID 58108402

IUPAC3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene
SMILESC=c1ccc(=C(F)F)cc1
InChIInChI=1S/C8H6F2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H2
InChIKeyIULWNSGDYNBWNH-UHFFFAOYSA-N
MW140.13 g/mol
LogP1.10
Rot. Bonds

About 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene

3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene (PubChem CID 58108402) has the molecular formula C8H6F2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene
PubChem CID58108402
Molecular FormulaC8H6F2
Molecular Weight140.13 g/mol
Exact Mass140.04
IUPAC Name3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene
SMILESC=c1ccc(=C(F)F)cc1
InChIInChI=1S/C8H6F2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H2
InChIKeyIULWNSGDYNBWNH-UHFFFAOYSA-N
XLogP1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-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 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene (CID 58108402) is 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene is C=c1ccc(=C(F)F)cc1.
What is the InChIKey of 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene?
The InChIKey is IULWNSGDYNBWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H2.
What are the key properties of 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene?
3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene has a molecular weight of 140.13 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-6-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 58108402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).