4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran

C22H21F5O — CID 134521717

IUPAC4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran
SMILESCCCC1CCC(c2ccc3c(oc4c(F)c(C(F)(F)F)ccc43)c2F)CC1
InChIInChI=1S/C22H21F5O/c1-2-3-12-4-6-13(7-5-12)14-8-9-15-16-10-11-17(22(25,26)27)19(24)21(16)28-20(15)18(14)23/h8-13H,2-7H2,1H3
InChIKeyGDDOUGFWUPWLHN-UHFFFAOYSA-N
MW396.40 g/mol
LogP7.96
Rot. Bonds3

About 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran

4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran (PubChem CID 134521717) has the molecular formula C22H21F5O and a molecular weight of 396.40 g/mol. Its IUPAC name is 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran
PubChem CID134521717
Molecular FormulaC22H21F5O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran
SMILESCCCC1CCC(c2ccc3c(oc4c(F)c(C(F)(F)F)ccc43)c2F)CC1
InChIInChI=1S/C22H21F5O/c1-2-3-12-4-6-13(7-5-12)14-8-9-15-16-10-11-17(22(25,26)27)19(24)21(16)28-20(15)18(14)23/h8-13H,2-7H2,1H3
InChIKeyGDDOUGFWUPWLHN-UHFFFAOYSA-N
XLogP7.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.40
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
CID 90863117
4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
CID 160681827
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
4,6-difluoro-3-(4-methylcyclohexyl)-7-(trifluoromethyl)dibenzothiophene
CID 137383925
6-bromo-2-fluoro-3-(trifluoromethyl)phenol;[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]boronic acid;6-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2-fluoro-3-(trifluoromethyl)phenol;methane
CID 157199058
1-[(3,4-difluorophenoxy)-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118604522
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
2-[3-chloro-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]oxirane
CID 89021617

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran?
The IUPAC name of 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran (CID 134521717) is 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran.
What is the SMILES notation for 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran?
The canonical SMILES for 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran is CCCC1CCC(c2ccc3c(oc4c(F)c(C(F)(F)F)ccc43)c2F)CC1.
What is the InChIKey of 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran?
The InChIKey is GDDOUGFWUPWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5O/c1-2-3-12-4-6-13(7-5-12)14-8-9-15-16-10-11-17(22(25,26)27)19(24)21(16)28-20(15)18(14)23/h8-13H,2-7H2,1H3.
What are the key properties of 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran?
4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran has a molecular weight of 396.40 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran is sourced from PubChem (CID 134521717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).