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

C11H15F3O3Si — CID 90173460

IUPACdihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
SMILESCO[Si](O)(O)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3O3Si/c1-17-18(15,16)7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8,15-16H,3,5,7H2,1H3
InChIKeyDBSHLSKSCVFIGN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds5

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

dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane (PubChem CID 90173460) has the molecular formula C11H15F3O3Si and a molecular weight of 280.32 g/mol. Its IUPAC name is dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane.

Molecular Properties

Compound Namedihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
PubChem CID90173460
Molecular FormulaC11H15F3O3Si
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Namedihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
SMILESCO[Si](O)(O)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3O3Si/c1-17-18(15,16)7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8,15-16H,3,5,7H2,1H3
InChIKeyDBSHLSKSCVFIGN-UHFFFAOYSA-N
XLogP2.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
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

methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
CID 90171309
CID 90171309
dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethoxy]silane
CID 152769137
CID 90174130
CID 90174130

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane?
The IUPAC name of dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane (CID 90173460) is dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane.
What is the SMILES notation for dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane?
The canonical SMILES for dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane is CO[Si](O)(O)CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane?
The InChIKey is DBSHLSKSCVFIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3Si/c1-17-18(15,16)7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8,15-16H,3,5,7H2,1H3.
What are the key properties of dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane?
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane has a molecular weight of 280.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane is sourced from PubChem (CID 90173460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).