3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran

C21H22F2O — CID 90863117

IUPAC3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
SMILESCCc1ccc2c(oc3c(F)c(C4CCC(C)CC4)ccc32)c1F
InChIInChI=1S/C21H22F2O/c1-3-13-8-9-16-17-11-10-15(14-6-4-12(2)5-7-14)19(23)21(17)24-20(16)18(13)22/h8-12,14H,3-7H2,1-2H3
InChIKeyWKXVGAKCHYDOJI-UHFFFAOYSA-N
MW328.40 g/mol
LogP6.72
Rot. Bonds2

About 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran

3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran (PubChem CID 90863117) has the molecular formula C21H22F2O and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran.

Molecular Properties

Compound Name3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
PubChem CID90863117
Molecular FormulaC21H22F2O
Molecular Weight328.40 g/mol
Exact Mass328.16
IUPAC Name3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
SMILESCCc1ccc2c(oc3c(F)c(C4CCC(C)CC4)ccc32)c1F
InChIInChI=1S/C21H22F2O/c1-3-13-8-9-16-17-11-10-15(14-6-4-12(2)5-7-14)19(23)21(17)24-20(16)18(13)22/h8-12,14H,3-7H2,1-2H3
InChIKeyWKXVGAKCHYDOJI-UHFFFAOYSA-N
XLogP6.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
CID 160681827
4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran
CID 134521717
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromen-6-one
CID 141494490
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392
3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran
CID 146324836
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione
CID 141494284
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
CID 143909524
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 91076031
3-ethyl-4-fluoro-8-(4-octylcyclohexyl)benzo[c]chromene-6-thione
CID 141494386

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran?
The IUPAC name of 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran (CID 90863117) is 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran.
What is the SMILES notation for 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran?
The canonical SMILES for 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran is CCc1ccc2c(oc3c(F)c(C4CCC(C)CC4)ccc32)c1F.
What is the InChIKey of 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran?
The InChIKey is WKXVGAKCHYDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2O/c1-3-13-8-9-16-17-11-10-15(14-6-4-12(2)5-7-14)19(23)21(17)24-20(16)18(13)22/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran?
3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran has a molecular weight of 328.40 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran is sourced from PubChem (CID 90863117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).