[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane

C27H26F6OSi — CID 123233909

IUPAC[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane
SMILESCc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCC(C[SiH3])CC4)cc3)cc2F)cc1F
InChIInChI=1S/C27H26F6OSi/c1-15-22(28)12-21(13-23(15)29)34-27(32,33)26-24(30)10-20(11-25(26)31)19-8-6-18(7-9-19)17-4-2-16(14-35)3-5-17/h6-13,16-17H,2-5,14H2,1,35H3
InChIKeyGATJMRDJZMBIRZ-UHFFFAOYSA-N
MW508.58 g/mol
LogP7.40
Rot. Bonds6

About [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane

[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane (PubChem CID 123233909) has the molecular formula C27H26F6OSi and a molecular weight of 508.58 g/mol. Its IUPAC name is [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane.

Molecular Properties

Compound Name[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane
PubChem CID123233909
Molecular FormulaC27H26F6OSi
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane
SMILESCc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCC(C[SiH3])CC4)cc3)cc2F)cc1F
InChIInChI=1S/C27H26F6OSi/c1-15-22(28)12-21(13-23(15)29)34-27(32,33)26-24(30)10-20(11-25(26)31)19-8-6-18(7-9-19)17-4-2-16(14-35)3-5-17/h6-13,16-17H,2-5,14H2,1,35H3
InChIKeyGATJMRDJZMBIRZ-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane 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

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[4-(methoxymethyl)cyclohexyl]phenyl]benzene
CID 134222832
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-4-propylcycloheptane
CID 118360369
[4-[4-[4-[difluoro-(4-methylphenoxy)methyl]-3-fluorophenyl]phenyl]cyclohexyl]methylsilane
CID 137329298
4-[[2,6-difluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 20654222
1-butyl-4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]cycloheptane
CID 118360348
2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-1,3-dioxane
CID 158597486
5-[4-[4-(cyclopropylmethyl)phenyl]-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 159752884
2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(6-fluorocyclohex-2-en-1-yl)phenyl]benzene;propane
CID 164546234
5-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;methane
CID 159808134
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-(4-propylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-methylbenzene
CID 144658294
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 59328460

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane?
The IUPAC name of [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane (CID 123233909) is [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane.
What is the SMILES notation for [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane?
The canonical SMILES for [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane is Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCC(C[SiH3])CC4)cc3)cc2F)cc1F.
What is the InChIKey of [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane?
The InChIKey is GATJMRDJZMBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F6OSi/c1-15-22(28)12-21(13-23(15)29)34-27(32,33)26-24(30)10-20(11-25(26)31)19-8-6-18(7-9-19)17-4-2-16(14-35)3-5-17/h6-13,16-17H,2-5,14H2,1,35H3.
What are the key properties of [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane?
[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane has a molecular weight of 508.58 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane is sourced from PubChem (CID 123233909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).