hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane

C12H17F3OSi — CID 90173314

IUPAChydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane
SMILESCC(C)[Si](O)(c1cc(F)c(F)cc1F)C(C)C
InChIInChI=1S/C12H17F3OSi/c1-7(2)17(16,8(3)4)12-6-10(14)9(13)5-11(12)15/h5-8,16H,1-4H3
InChIKeyLFXMVFXZCVSTEQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.07
Rot. Bonds3

About hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane

hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane (PubChem CID 90173314) has the molecular formula C12H17F3OSi and a molecular weight of 262.35 g/mol. Its IUPAC name is hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane.

Molecular Properties

Compound Namehydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane
PubChem CID90173314
Molecular FormulaC12H17F3OSi
Molecular Weight262.35 g/mol
Exact Mass262.10
IUPAC Namehydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane
SMILESCC(C)[Si](O)(c1cc(F)c(F)cc1F)C(C)C
InChIInChI=1S/C12H17F3OSi/c1-7(2)17(16,8(3)4)12-6-10(14)9(13)5-11(12)15/h5-8,16H,1-4H3
InChIKeyLFXMVFXZCVSTEQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)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 hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane?
The IUPAC name of hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane (CID 90173314) is hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane.
What is the SMILES notation for hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane?
The canonical SMILES for hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane is CC(C)[Si](O)(c1cc(F)c(F)cc1F)C(C)C.
What is the InChIKey of hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane?
The InChIKey is LFXMVFXZCVSTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3OSi/c1-7(2)17(16,8(3)4)12-6-10(14)9(13)5-11(12)15/h5-8,16H,1-4H3.
What are the key properties of hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane?
hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane has a molecular weight of 262.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane is sourced from PubChem (CID 90173314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).