trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane

C16H17F3O3Si — CID 90172461

IUPACtrimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H17F3O3Si/c1-20-23(21-2,22-3)15-10-6-13(7-11-15)12-4-8-14(9-5-12)16(17,18)19/h4-11H,1-3H3
InChIKeyIOFDLCNYDLDKQD-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.46
Rot. Bonds5

About trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane

trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 90172461) has the molecular formula C16H17F3O3Si and a molecular weight of 342.39 g/mol. Its IUPAC name is trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID90172461
Molecular FormulaC16H17F3O3Si
Molecular Weight342.39 g/mol
Exact Mass342.09
IUPAC Nametrimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H17F3O3Si/c1-20-23(21-2,22-3)15-10-6-13(7-11-15)12-4-8-14(9-5-12)16(17,18)19/h4-11H,1-3H3
InChIKeyIOFDLCNYDLDKQD-UHFFFAOYSA-N
XLogP3.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90170531
tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90171331
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
CID 90174042
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90173483
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
trimethyl-[4-[4-[7-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenyl]silane
CID 169293833
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (CID 90172461) is trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is CO[Si](OC)(OC)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is IOFDLCNYDLDKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O3Si/c1-20-23(21-2,22-3)15-10-6-13(7-11-15)12-4-8-14(9-5-12)16(17,18)19/h4-11H,1-3H3.
What are the key properties of trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 342.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 90172461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).