5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane

C92H86F26O12 — CID 159315793

IUPAC5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane
SMILESFC(F)(F)Oc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2)cc1.Fc1cc(OC(F)(F)c2c(F)cc(C3CCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F
InChIInChI=1S/C23H20F8O3.C23H21F7O3.C23H22F6O3.C23H23F5O3/c24-16-10-15(5-7-20(16)34-23(29,30)31)33-22(27,28)21-17(25)8-14(9-18(21)26)19-6-4-13(11-32-19)12-2-1-3-12;24-18-10-14(20-8-5-15(12-31-20)13-2-1-3-13)4-7-17(18)22(26,27)32-16-6-9-21(19(25)11-16)33-23(28,29)30;24-19-12-18(9-11-21(19)32-23(27,28)29)31-22(25,26)17-7-4-15(5-8-17)20-10-6-16(13-30-20)14-2-1-3-14;24-22(25,30-19-9-11-20(12-10-19)31-23(26,27)28)18-7-4-16(5-8-18)21-13-6-17(14-29-21)15-2-1-3-15/h5,7-10,12-13,19H,1-4,6,11H2;4,6-7,9-11,13,15,20H,1-3,5,8,12H2;4-5,7-9,11-12,14,16,20H,1-3,6,10,13H2;4-5,7-12,15,17,21H,1-3,6,13-14H2
InChIKeyLDCRJVSOMTZOFZ-UHFFFAOYSA-N
MW1877.64 g/mol
LogP28.76
Rot. Bonds24

About 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane

5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane (PubChem CID 159315793) has the molecular formula C92H86F26O12 and a molecular weight of 1877.64 g/mol. Its IUPAC name is 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane.

Molecular Properties

Compound Name5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane
PubChem CID159315793
Molecular FormulaC92H86F26O12
Molecular Weight1877.64 g/mol
Exact Mass1876.57
IUPAC Name5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane
SMILESFC(F)(F)Oc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2)cc1.Fc1cc(OC(F)(F)c2c(F)cc(C3CCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F
InChIInChI=1S/C23H20F8O3.C23H21F7O3.C23H22F6O3.C23H23F5O3/c24-16-10-15(5-7-20(16)34-23(29,30)31)33-22(27,28)21-17(25)8-14(9-18(21)26)19-6-4-13(11-32-19)12-2-1-3-12;24-18-10-14(20-8-5-15(12-31-20)13-2-1-3-13)4-7-17(18)22(26,27)32-16-6-9-21(19(25)11-16)33-23(28,29)30;24-19-12-18(9-11-21(19)32-23(27,28)29)31-22(25,26)17-7-4-15(5-8-17)20-10-6-16(13-30-20)14-2-1-3-14;24-22(25,30-19-9-11-20(12-10-19)31-23(26,27)28)18-7-4-16(5-8-18)21-13-6-17(14-29-21)15-2-1-3-15/h5,7-10,12-13,19H,1-4,6,11H2;4,6-7,9-11,13,15,20H,1-3,5,8,12H2;4-5,7-9,11-12,14,16,20H,1-3,6,10,13H2;4-5,7-12,15,17,21H,1-3,6,13-14H2
InChIKeyLDCRJVSOMTZOFZ-UHFFFAOYSA-N
XLogP28.76
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.64
LogP ≤ 528.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane with MolForge

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Related Compounds

5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane
CID 160630264
4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene
CID 143982596
5-cyclopentyl-2-[4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]cyclohexyl]oxane;5-cyclopentyl-2-[4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]oxane;5-cyclopentyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]oxane;5-cyclopentyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]cyclohexyl]oxane;5-cyclopentyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]phenyl]oxane
CID 158005701
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]-5-propyloxolane
CID 58555728
5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 118283158
2-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 58151025
5-cyclopentyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]-1,3-dioxane;5-cyclopentyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxane;5-cyclopentyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclopentyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]oxane;5-cyclopentyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]-1,3-dioxane;5-cyclopentyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxane
CID 159454784
5-(4-butoxycyclohexyl)-2-[4-[difluoro-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane
CID 59328095
2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane
CID 20653938
6-[6-[4-[difluoro-[3-fluoro-4,5-bis(phosphanyl)phenoxy]methyl]phenyl]oxan-3-yl]oxane-3-thiol
CID 130256860
2-[4-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]cyclohexyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 59329157
5-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 118283125

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane?
The IUPAC name of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane (CID 159315793) is 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane.
What is the SMILES notation for 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane?
The canonical SMILES for 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane is FC(F)(F)Oc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2)cc1.Fc1cc(OC(F)(F)c2c(F)cc(C3CCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F.
What is the InChIKey of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane?
The InChIKey is LDCRJVSOMTZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F8O3.C23H21F7O3.C23H22F6O3.C23H23F5O3/c24-16-10-15(5-7-20(16)34-23(29,30)31)33-22(27,28)21-17(25)8-14(9-18(21)26)19-6-4-13(11-32-19)12-2-1-3-12;24-18-10-14(20-8-5-15(12-31-20)13-2-1-3-13)4-7-17(18)22(26,27)32-16-6-9-21(19(25)11-16)33-23(28,29)30;24-19-12-18(9-11-21(19)32-23(27,28)29)31-22(25,26)17-7-4-15(5-8-17)20-10-6-16(13-30-20)14-2-1-3-14;24-22(25,30-19-9-11-20(12-10-19)31-23(26,27)28)18-7-4-16(5-8-18)21-13-6-17(14-29-21)15-2-1-3-15/h5,7-10,12-13,19H,1-4,6,11H2;4,6-7,9-11,13,15,20H,1-3,5,8,12H2;4-5,7-9,11-12,14,16,20H,1-3,6,10,13H2;4-5,7-12,15,17,21H,1-3,6,13-14H2.
What are the key properties of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane?
5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane has a molecular weight of 1877.64 g/mol, XLogP of 28.76, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane is sourced from PubChem (CID 159315793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).