4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

C20H32F2O2 — CID 59348903

IUPAC4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCOC1CCC2C3CCC(C4CCC(C)CC4)C(F)C3OC2C1F
InChIInChI=1S/C20H32F2O2/c1-11-3-5-12(6-4-11)13-7-8-14-15-9-10-16(23-2)18(22)20(15)24-19(14)17(13)21/h11-20H,3-10H2,1-2H3
InChIKeyYKAMQPFZIOBJPJ-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.71
Rot. Bonds2

About 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (PubChem CID 59348903) has the molecular formula C20H32F2O2 and a molecular weight of 342.47 g/mol. Its IUPAC name is 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
PubChem CID59348903
Molecular FormulaC20H32F2O2
Molecular Weight342.47 g/mol
Exact Mass342.24
IUPAC Name4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCOC1CCC2C3CCC(C4CCC(C)CC4)C(F)C3OC2C1F
InChIInChI=1S/C20H32F2O2/c1-11-3-5-12(6-4-11)13-7-8-14-15-9-10-16(23-2)18(22)20(15)24-19(14)17(13)21/h11-20H,3-10H2,1-2H3
InChIKeyYKAMQPFZIOBJPJ-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The IUPAC name of 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (CID 59348903) is 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.
What is the SMILES notation for 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The canonical SMILES for 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is COC1CCC2C3CCC(C4CCC(C)CC4)C(F)C3OC2C1F.
What is the InChIKey of 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The InChIKey is YKAMQPFZIOBJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2O2/c1-11-3-5-12(6-4-11)13-7-8-14-15-9-10-16(23-2)18(22)20(15)24-19(14)17(13)21/h11-20H,3-10H2,1-2H3.
What are the key properties of 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran has a molecular weight of 342.47 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-methoxy-7-(4-methylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is sourced from PubChem (CID 59348903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).