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

C13H20F2O3 — CID 118136335

IUPAC4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol
SMILESCOC1CCC2C3CCC(O)C(F)C3OC2C1F
InChIInChI=1S/C13H20F2O3/c1-17-9-5-3-7-6-2-4-8(16)10(14)12(6)18-13(7)11(9)15/h6-13,16H,2-5H2,1H3
InChIKeyFAAAESVAMADSCJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.63
Rot. Bonds1

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

4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol (PubChem CID 118136335) has the molecular formula C13H20F2O3 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol.

Molecular Properties

Compound Name4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol
PubChem CID118136335
Molecular FormulaC13H20F2O3
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol
SMILESCOC1CCC2C3CCC(O)C(F)C3OC2C1F
InChIInChI=1S/C13H20F2O3/c1-17-9-5-3-7-6-2-4-8(16)10(14)12(6)18-13(7)11(9)15/h6-13,16H,2-5H2,1H3
InChIKeyFAAAESVAMADSCJ-UHFFFAOYSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol?
The IUPAC name of 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol (CID 118136335) is 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol.
What is the SMILES notation for 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol?
The canonical SMILES for 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol is COC1CCC2C3CCC(O)C(F)C3OC2C1F.
What is the InChIKey of 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol?
The InChIKey is FAAAESVAMADSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O3/c1-17-9-5-3-7-6-2-4-8(16)10(14)12(6)18-13(7)11(9)15/h6-13,16H,2-5H2,1H3.
What are the key properties of 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol?
4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol has a molecular weight of 262.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-7-methoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-ol is sourced from PubChem (CID 118136335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).