ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane

C21H25F3Si — CID 123492543

IUPACethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane
SMILESCC[SiH2]C1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H25F3Si/c1-2-25-20-13-9-18(10-14-20)16-5-3-15(4-6-16)17-7-11-19(12-8-17)21(22,23)24/h3-8,11-12,18,20H,2,9-10,13-14,25H2,1H3
InChIKeyDOXHRKRFDRRDBN-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.43
Rot. Bonds4

About ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane

ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane (PubChem CID 123492543) has the molecular formula C21H25F3Si and a molecular weight of 362.51 g/mol. Its IUPAC name is ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane.

Molecular Properties

Compound Nameethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane
PubChem CID123492543
Molecular FormulaC21H25F3Si
Molecular Weight362.51 g/mol
Exact Mass362.17
IUPAC Nameethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane
SMILESCC[SiH2]C1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H25F3Si/c1-2-25-20-13-9-18(10-14-20)16-5-3-15(4-6-16)17-7-11-19(12-8-17)21(22,23)24/h3-8,11-12,18,20H,2,9-10,13-14,25H2,1H3
InChIKeyDOXHRKRFDRRDBN-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane?
The IUPAC name of ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane (CID 123492543) is ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane.
What is the SMILES notation for ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane?
The canonical SMILES for ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane is CC[SiH2]C1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane?
The InChIKey is DOXHRKRFDRRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3Si/c1-2-25-20-13-9-18(10-14-20)16-5-3-15(4-6-16)17-7-11-19(12-8-17)21(22,23)24/h3-8,11-12,18,20H,2,9-10,13-14,25H2,1H3.
What are the key properties of ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane?
ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane has a molecular weight of 362.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane is sourced from PubChem (CID 123492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).