4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene

C28H25F7O2 — CID 22440430

IUPAC4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene
SMILESCCC1CCC(c2c(F)cc(C)c(Oc3ccccc3-c3cc(F)c(OC(F)(F)F)c(F)c3)c2F)CC1
InChIInChI=1S/C28H25F7O2/c1-3-16-8-10-17(11-9-16)24-20(29)12-15(2)26(25(24)32)36-23-7-5-4-6-19(23)18-13-21(30)27(22(31)14-18)37-28(33,34)35/h4-7,12-14,16-17H,3,8-11H2,1-2H3
InChIKeyRXDJOCNAILOENG-UHFFFAOYSA-N
MW526.49 g/mol
LogP9.59
Rot. Bonds6

About 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene

4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene (PubChem CID 22440430) has the molecular formula C28H25F7O2 and a molecular weight of 526.49 g/mol. Its IUPAC name is 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene.

Molecular Properties

Compound Name4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene
PubChem CID22440430
Molecular FormulaC28H25F7O2
Molecular Weight526.49 g/mol
Exact Mass526.17
IUPAC Name4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene
SMILESCCC1CCC(c2c(F)cc(C)c(Oc3ccccc3-c3cc(F)c(OC(F)(F)F)c(F)c3)c2F)CC1
InChIInChI=1S/C28H25F7O2/c1-3-16-8-10-17(11-9-16)24-20(29)12-15(2)26(25(24)32)36-23-7-5-4-6-19(23)18-13-21(30)27(22(31)14-18)37-28(33,34)35/h4-7,12-14,16-17H,3,8-11H2,1-2H3
InChIKeyRXDJOCNAILOENG-UHFFFAOYSA-N
XLogP9.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.49
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3,4-difluorophenyl)phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene
CID 22440925
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710881
1,3-difluoro-5-[4-(4-pentylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
CID 175686006
5-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-1,2,3-trifluorobenzene
CID 22883418
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;ethane
CID 144714438
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
2-(4-ethylcyclohexyl)-5,7-difluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948906
5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 22883425
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
2-ethyl-6-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384069
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383228

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene?
The IUPAC name of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene (CID 22440430) is 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene.
What is the SMILES notation for 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene?
The canonical SMILES for 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene is CCC1CCC(c2c(F)cc(C)c(Oc3ccccc3-c3cc(F)c(OC(F)(F)F)c(F)c3)c2F)CC1.
What is the InChIKey of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene?
The InChIKey is RXDJOCNAILOENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F7O2/c1-3-16-8-10-17(11-9-16)24-20(29)12-15(2)26(25(24)32)36-23-7-5-4-6-19(23)18-13-21(30)27(22(31)14-18)37-28(33,34)35/h4-7,12-14,16-17H,3,8-11H2,1-2H3.
What are the key properties of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene?
4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene has a molecular weight of 526.49 g/mol, XLogP of 9.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenoxy]-2-(4-ethylcyclohexyl)-1,3-difluoro-5-methylbenzene is sourced from PubChem (CID 22440430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).