4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene

C57H44F10O2 — CID 158318873

About 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene

4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene (PubChem CID 158318873) has the molecular formula C57H44F10O2 and a molecular weight of 950.96 g/mol. Its IUPAC name is 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene.

Molecular Properties

• Compound Name: 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene
• PubChem CID: 158318873
• Molecular Formula: C57H44F10O2
• Molecular Weight: 950.96 g/mol
• Exact Mass: 950.32
• IUPAC Name: 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene
• SMILES: Cc1cc2c(c(F)c1F)OC(C)CC2.Cc1cc2ccc3cc(C)c(F)c(F)c3c2c(F)c1F.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F
• InChI: InChI=1S/C16H10F4.C16H12F2.C14H10F2O.C11H12F2O/c1-7-5-9-3-4-10-6-8(2)14(18)16(20)12(10)11(9)15(19)13(7)17;1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17;1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12/h3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;5,7H,3-4H2,1-2H3
• InChIKey: GOPFFYVZOXDUSI-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 22.37 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.96
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene?

The IUPAC name of 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene (CID 158318873) is 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene.

What is the SMILES notation for 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene?

The canonical SMILES for 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene is Cc1cc2c(c(F)c1F)OC(C)CC2.Cc1cc2ccc3cc(C)c(F)c(F)c3c2c(F)c1F.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1F.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F.

What is the InChIKey of 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene?

The InChIKey is GOPFFYVZOXDUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4.C16H12F2.C14H10F2O.C11H12F2O/c1-7-5-9-3-4-10-6-8(2)14(18)16(20)12(10)11(9)15(19)13(7)17;1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17;1-7-3-5-9-10-6-4-8(2)12(16)14(10)17-13(9)11(7)15;1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12/h3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;5,7H,3-4H2,1-2H3.

What are the key properties of 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene?

4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene has a molecular weight of 950.96 g/mol, XLogP of 17.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene is sourced from PubChem (CID 158318873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).