dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane

C14H13F3O3Si — CID 90171711

IUPACdihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
SMILESCO[Si](O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F3O3Si/c1-20-21(18,19)13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15,16)17/h2-9,18-19H,1H3
InChIKeyBTBGPTWUQKPZBP-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.15
Rot. Bonds3

About dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane

dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 90171711) has the molecular formula C14H13F3O3Si and a molecular weight of 314.34 g/mol. Its IUPAC name is dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Namedihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID90171711
Molecular FormulaC14H13F3O3Si
Molecular Weight314.34 g/mol
Exact Mass314.06
IUPAC Namedihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
SMILESCO[Si](O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F3O3Si/c1-20-21(18,19)13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15,16)17/h2-9,18-19H,1H3
InChIKeyBTBGPTWUQKPZBP-UHFFFAOYSA-N
XLogP2.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90173483
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
CID 131866586
CID 131866586
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane (CID 90171711) is dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane is CO[Si](O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is BTBGPTWUQKPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O3Si/c1-20-21(18,19)13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15,16)17/h2-9,18-19H,1H3.
What are the key properties of dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 314.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 90171711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).