4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene

C25H22F4O2 — CID 161217958

IUPAC4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(c(F)c1F)OC(C)CC2.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F
InChIInChI=1S/C14H10F2O.C11H12F2O/c1-7-3-5-9-10-6-4-8(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;5,7H,3-4H2,1-2H3
InChIKeyUXCWKNPJQMALRY-UHFFFAOYSA-N
MW430.44 g/mol
LogP7.47
Rot. Bonds

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

4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene (PubChem CID 161217958) has the molecular formula C25H22F4O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
PubChem CID161217958
Molecular FormulaC25H22F4O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(c(F)c1F)OC(C)CC2.Cc1ccc2c(oc3c(F)c(C)ccc32)c1F
InChIInChI=1S/C14H10F2O.C11H12F2O/c1-7-3-5-9-10-6-4-8(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;5,7H,3-4H2,1-2H3
InChIKeyUXCWKNPJQMALRY-UHFFFAOYSA-N
XLogP7.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.44
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-3,7-dimethyldibenzofuran;bis(7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene)
CID 158886746
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
8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795393
7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene
CID 126578543
6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
CID 69234280
4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
CID 160681827
8-(fluoromethoxy)-2,6-dimethyl-3,4-dihydro-2H-chromene-7-carbonyl fluoride
CID 89242607
2,5,8-trimethyl-3,4-dihydro-2H-chromene
CID 167473800
4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
CID 167121438
8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795217
8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795057
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839

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?
The IUPAC name of 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene (CID 161217958) is 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene is Cc1cc2c(c(F)c1F)OC(C)CC2.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?
The InChIKey is UXCWKNPJQMALRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O.C11H12F2O/c1-7-3-5-9-10-6-4-8(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;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?
4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene has a molecular weight of 430.44 g/mol, XLogP of 7.47, 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 is sourced from PubChem (CID 161217958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).