6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one

C21H18F2O3 — CID 72757230

IUPAC6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one
SMILESCC1(C)OC(c2ccc(F)cc2)=C(c2ccc(F)cc2)C2C(=O)OCC21
InChIInChI=1S/C21H18F2O3/c1-21(2)16-11-25-20(24)18(16)17(12-3-7-14(22)8-4-12)19(26-21)13-5-9-15(23)10-6-13/h3-10,16,18H,11H2,1-2H3
InChIKeyOGYIAKLAUSOEGP-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.43
Rot. Bonds2

About 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one

6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one (PubChem CID 72757230) has the molecular formula C21H18F2O3 and a molecular weight of 356.37 g/mol. Its IUPAC name is 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one.

Molecular Properties

Compound Name6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one
PubChem CID72757230
Molecular FormulaC21H18F2O3
Molecular Weight356.37 g/mol
Exact Mass356.12
IUPAC Name6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one
SMILESCC1(C)OC(c2ccc(F)cc2)=C(c2ccc(F)cc2)C2C(=O)OCC21
InChIInChI=1S/C21H18F2O3/c1-21(2)16-11-25-20(24)18(16)17(12-3-7-14(22)8-4-12)19(26-21)13-5-9-15(23)10-6-13/h3-10,16,18H,11H2,1-2H3
InChIKeyOGYIAKLAUSOEGP-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Methylidene-7,9-diphenyl-1,8-dioxaspiro[4.5]decan-2-one
CID 3826912
3-Methylidene-4,5-diphenyloxolan-2-one
CID 13699856
[(1Z)-1-[(3aR,7aR)-5-oxo-7a-phenyl-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 70684928
3-Methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one
CID 118708711
Methyl 5-oxo-2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxylate
CID 49837632
Methyl 3-benzyl-2-ethyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 49837731
Methyl 2-methyl-5-oxo-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxylate
CID 57394248
Methyl 3-benzyl-2-methyl-5-oxo-2-[3-(trifluoromethyl)phenyl]oxolane-3-carboxylate
CID 66562963
Methyl 2-methyl-5-oxo-2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxylate
CID 118720746
Methyl 2-methyl-5-oxo-2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]oxolane-3-carboxylate
CID 118720747
(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one
CID 11747058
(4R,5S)-3-methylidene-4,5-diphenyloxolan-2-one
CID 12023500

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one?
The IUPAC name of 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one (CID 72757230) is 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one.
What is the SMILES notation for 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one?
The canonical SMILES for 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one is CC1(C)OC(c2ccc(F)cc2)=C(c2ccc(F)cc2)C2C(=O)OCC21.
What is the InChIKey of 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one?
The InChIKey is OGYIAKLAUSOEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2O3/c1-21(2)16-11-25-20(24)18(16)17(12-3-7-14(22)8-4-12)19(26-21)13-5-9-15(23)10-6-13/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one?
6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one has a molecular weight of 356.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-fluorophenyl)-4,4-dimethyl-3a,7a-dihydro-3H-furo[3,4-c]pyran-1-one is sourced from PubChem (CID 72757230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).