[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane

C20H22F6OSi — CID 90173471

IUPAC[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(C)C
InChIInChI=1S/C20H22F6OSi/c1-12(2)28(27,13(3)4)18-7-5-14(6-8-18)15-9-16(19(21,22)23)11-17(10-15)20(24,25)26/h5-13,27H,1-4H3
InChIKeyKEJOQOOPXPYPAZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.36
Rot. Bonds4

About [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane

[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane (PubChem CID 90173471) has the molecular formula C20H22F6OSi and a molecular weight of 420.47 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane
PubChem CID90173471
Molecular FormulaC20H22F6OSi
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC Name[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(C)C
InChIInChI=1S/C20H22F6OSi/c1-12(2)28(27,13(3)4)18-7-5-14(6-8-18)15-9-16(19(21,22)23)11-17(10-15)20(24,25)26/h5-13,27H,1-4H3
InChIKeyKEJOQOOPXPYPAZ-UHFFFAOYSA-N
XLogP6.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane (CID 90173471) is [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane is CC(C)[Si](O)(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(C)C.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane?
The InChIKey is KEJOQOOPXPYPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F6OSi/c1-12(2)28(27,13(3)4)18-7-5-14(6-8-18)15-9-16(19(21,22)23)11-17(10-15)20(24,25)26/h5-13,27H,1-4H3.
What are the key properties of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane?
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane has a molecular weight of 420.47 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane is sourced from PubChem (CID 90173471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).