ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane

C22H27F3Si — CID 123749784

IUPACethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane
SMILESCC[SiH2]C1CCC(CCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H27F3Si/c1-2-26-19-11-7-16(8-12-19)4-3-15-5-9-17(10-6-15)18-13-20(23)22(25)21(24)14-18/h5-6,9-10,13-14,16,19H,2-4,7-8,11-12,26H2,1H3
InChIKeyNBJCGBFEZXDGHP-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.29
Rot. Bonds6

About ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane

ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane (PubChem CID 123749784) has the molecular formula C22H27F3Si and a molecular weight of 376.54 g/mol. Its IUPAC name is ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane.

Molecular Properties

Compound Nameethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane
PubChem CID123749784
Molecular FormulaC22H27F3Si
Molecular Weight376.54 g/mol
Exact Mass376.18
IUPAC Nameethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane
SMILESCC[SiH2]C1CCC(CCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H27F3Si/c1-2-26-19-11-7-16(8-12-19)4-3-15-5-9-17(10-6-15)18-13-20(23)22(25)21(24)14-18/h5-6,9-10,13-14,16,19H,2-4,7-8,11-12,26H2,1H3
InChIKeyNBJCGBFEZXDGHP-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
5-[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]phenyl]-1,3-difluoro-2-(fluoromethyl)benzene
CID 70820995
2-[2-[2-[2,6-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]ethoxy]ethyl]-1,3-difluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 140976280
5-ethyl-2-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-1,3-dioxane
CID 166662193
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
2-[[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59790931
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
2-chloro-1,3-difluoro-5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54054903
2-fluoro-4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-3-(3,4,5-trifluorophenyl)benzoic acid
CID 18410852
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane?
The IUPAC name of ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane (CID 123749784) is ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane.
What is the SMILES notation for ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane?
The canonical SMILES for ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane is CC[SiH2]C1CCC(CCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1.
What is the InChIKey of ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane?
The InChIKey is NBJCGBFEZXDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3Si/c1-2-26-19-11-7-16(8-12-19)4-3-15-5-9-17(10-6-15)18-13-20(23)22(25)21(24)14-18/h5-6,9-10,13-14,16,19H,2-4,7-8,11-12,26H2,1H3.
What are the key properties of ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane?
ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane has a molecular weight of 376.54 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane is sourced from PubChem (CID 123749784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).