4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen

C20H22F2O — CID 160681827

IUPAC4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
SMILESCc1ccc2c(oc3c(F)c(C4CCC(C)CC4)ccc32)c1F.[H][H]
InChIInChI=1S/C20H20F2O.H2/c1-11-3-6-13(7-4-11)14-9-10-16-15-8-5-12(2)17(21)19(15)23-20(16)18(14)22;/h5,8-11,13H,3-4,6-7H2,1-2H3;1H
InChIKeyROGBRFOEJICBIK-UHFFFAOYSA-N
MW316.39 g/mol
LogP6.71
Rot. Bonds1

About 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen

4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen (PubChem CID 160681827) has the molecular formula C20H22F2O and a molecular weight of 316.39 g/mol. Its IUPAC name is 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen.

Molecular Properties

Compound Name4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
PubChem CID160681827
Molecular FormulaC20H22F2O
Molecular Weight316.39 g/mol
Exact Mass316.16
IUPAC Name4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
SMILESCc1ccc2c(oc3c(F)c(C4CCC(C)CC4)ccc32)c1F.[H][H]
InChIInChI=1S/C20H20F2O.H2/c1-11-3-6-13(7-4-11)14-9-10-16-15-8-5-12(2)17(21)19(15)23-20(16)18(14)22;/h5,8-11,13H,3-4,6-7H2,1-2H3;1H
InChIKeyROGBRFOEJICBIK-UHFFFAOYSA-N
XLogP6.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
CID 90863117
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran
CID 134521717
2,3-difluoro-1-(4-fluorocyclohexyl)-4-methylbenzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91273380
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583442
2-(difluoromethyl)-3-fluoro-1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 143115205
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
CID 143909524
6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583470
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 160793122
4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
CID 167121438

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen?
The IUPAC name of 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen (CID 160681827) is 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen.
What is the SMILES notation for 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen?
The canonical SMILES for 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen is Cc1ccc2c(oc3c(F)c(C4CCC(C)CC4)ccc32)c1F.[H][H].
What is the InChIKey of 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen?
The InChIKey is ROGBRFOEJICBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O.H2/c1-11-3-6-13(7-4-11)14-9-10-16-15-8-5-12(2)17(21)19(15)23-20(16)18(14)22;/h5,8-11,13H,3-4,6-7H2,1-2H3;1H.
What are the key properties of 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen?
4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen has a molecular weight of 316.39 g/mol, XLogP of 6.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen is sourced from PubChem (CID 160681827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).