1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene

C66H85F7O5 — CID 162603153

IUPAC1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene
SMILESFc1cc(OC(F)(F)c2c(F)cc(-c3ccc(-c4c(CCCC5CCCCC5)c(OCCC5CCCCC5)c(OCCC5CCCCC5)c(OCCC5CCCCC5)c4OCCC4CCCCC4)cc3)cc2F)cc(F)c1F
InChIInChI=1S/C66H85F7O5/c67-55-41-52(42-56(68)60(55)66(72,73)78-53-43-57(69)61(71)58(70)44-53)50-29-31-51(32-30-50)59-54(28-16-27-45-17-6-1-7-18-45)62(74-37-33-46-19-8-2-9-20-46)64(76-39-35-48-23-12-4-13-24-48)65(77-40-36-49-25-14-5-15-26-49)63(59)75-38-34-47-21-10-3-11-22-47/h29-32,41-49H,1-28,33-40H2
InChIKeyVWRGUPNHISNRET-UHFFFAOYSA-N
MW1091.39 g/mol
LogP20.14
Rot. Bonds25

About 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene

1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene (PubChem CID 162603153) has the molecular formula C66H85F7O5 and a molecular weight of 1091.39 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene
PubChem CID162603153
Molecular FormulaC66H85F7O5
Molecular Weight1091.39 g/mol
Exact Mass1090.63
IUPAC Name1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene
SMILESFc1cc(OC(F)(F)c2c(F)cc(-c3ccc(-c4c(CCCC5CCCCC5)c(OCCC5CCCCC5)c(OCCC5CCCCC5)c(OCCC5CCCCC5)c4OCCC4CCCCC4)cc3)cc2F)cc(F)c1F
InChIInChI=1S/C66H85F7O5/c67-55-41-52(42-56(68)60(55)66(72,73)78-53-43-57(69)61(71)58(70)44-53)50-29-31-51(32-30-50)59-54(28-16-27-45-17-6-1-7-18-45)62(74-37-33-46-19-8-2-9-20-46)64(76-39-35-48-23-12-4-13-24-48)65(77-40-36-49-25-14-5-15-26-49)63(59)75-38-34-47-21-10-3-11-22-47/h29-32,41-49H,1-28,33-40H2
InChIKeyVWRGUPNHISNRET-UHFFFAOYSA-N
XLogP20.14
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.39
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene 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

[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenoxy]methylcycloheptane
CID 118362241
pentakis(5-[4-(cyclopentylmethyl)phenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene);methane
CID 159148391
1-butyl-4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]cycloheptane
CID 118360348
5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-2-pentyl-2,3-dihydro-1H-indene
CID 175685243
butoxymethylbenzene;1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-2-methyl-3,4,5,6-tetrakis(3-phenylmethoxypropoxy)benzene
CID 143138259
5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene
CID 161089736
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134222331
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[4-(methoxymethyl)cyclohexyl]phenyl]benzene
CID 134222832
2-[4-[4-[[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-pentyl-1,3-dioxane
CID 59330138
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-octylcyclohexyl)phenyl]phenyl]benzene
CID 59328278
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]phenyl]phenyl]benzene
CID 59329824

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene?
The IUPAC name of 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene (CID 162603153) is 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene.
What is the SMILES notation for 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene?
The canonical SMILES for 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene is Fc1cc(OC(F)(F)c2c(F)cc(-c3ccc(-c4c(CCCC5CCCCC5)c(OCCC5CCCCC5)c(OCCC5CCCCC5)c(OCCC5CCCCC5)c4OCCC4CCCCC4)cc3)cc2F)cc(F)c1F.
What is the InChIKey of 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene?
The InChIKey is VWRGUPNHISNRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H85F7O5/c67-55-41-52(42-56(68)60(55)66(72,73)78-53-43-57(69)61(71)58(70)44-53)50-29-31-51(32-30-50)59-54(28-16-27-45-17-6-1-7-18-45)62(74-37-33-46-19-8-2-9-20-46)64(76-39-35-48-23-12-4-13-24-48)65(77-40-36-49-25-14-5-15-26-49)63(59)75-38-34-47-21-10-3-11-22-47/h29-32,41-49H,1-28,33-40H2.
What are the key properties of 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene?
1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene has a molecular weight of 1091.39 g/mol, XLogP of 20.14, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(2-cyclohexylethoxy)-5-(3-cyclohexylpropyl)-6-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]benzene is sourced from PubChem (CID 162603153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).