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

C14H22F2O2 — CID 118181742

IUPAC4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCOC1CCC2C3CCC(C)C(F)C3OC2C1F
InChIInChI=1S/C14H22F2O2/c1-7-3-4-8-9-5-6-10(17-2)12(16)14(9)18-13(8)11(7)15/h7-14H,3-6H2,1-2H3
InChIKeyONRZCUSRGBEAQK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.90
Rot. Bonds1

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

4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (PubChem CID 118181742) has the molecular formula C14H22F2O2 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
PubChem CID118181742
Molecular FormulaC14H22F2O2
Molecular Weight260.32 g/mol
Exact Mass260.16
IUPAC Name4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCOC1CCC2C3CCC(C)C(F)C3OC2C1F
InChIInChI=1S/C14H22F2O2/c1-7-3-4-8-9-5-6-10(17-2)12(16)14(9)18-13(8)11(7)15/h7-14H,3-6H2,1-2H3
InChIKeyONRZCUSRGBEAQK-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The IUPAC name of 4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (CID 118181742) is 4,6-difluoro-3-methoxy-7-methyl-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-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The canonical SMILES for 4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is COC1CCC2C3CCC(C)C(F)C3OC2C1F.
What is the InChIKey of 4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The InChIKey is ONRZCUSRGBEAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O2/c1-7-3-4-8-9-5-6-10(17-2)12(16)14(9)18-13(8)11(7)15/h7-14H,3-6H2,1-2H3.
What are the key properties of 4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
4,6-difluoro-3-methoxy-7-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran has a molecular weight of 260.32 g/mol, XLogP of 2.90, 1 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-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is sourced from PubChem (CID 118181742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).