dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane

C12H17F3O2Si — CID 90174085

IUPACdimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
SMILESCO[Si](C)(CCc1cccc(C(F)(F)F)c1)OC
InChIInChI=1S/C12H17F3O2Si/c1-16-18(3,17-2)8-7-10-5-4-6-11(9-10)12(13,14)15/h4-6,9H,7-8H2,1-3H3
InChIKeySCXAVEIHSKSJGF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.61
Rot. Bonds5

About dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane

dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane (PubChem CID 90174085) has the molecular formula C12H17F3O2Si and a molecular weight of 278.35 g/mol. Its IUPAC name is dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
PubChem CID90174085
Molecular FormulaC12H17F3O2Si
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Namedimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
SMILESCO[Si](C)(CCc1cccc(C(F)(F)F)c1)OC
InChIInChI=1S/C12H17F3O2Si/c1-16-18(3,17-2)8-7-10-5-4-6-11(9-10)12(13,14)15/h4-6,9H,7-8H2,1-3H3
InChIKeySCXAVEIHSKSJGF-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
CID 90175393
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethoxy]silane
CID 152769137
1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 67331069
2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
CID 67402200
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141

Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
The IUPAC name of dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane (CID 90174085) is dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane.
What is the SMILES notation for dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
The canonical SMILES for dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane is CO[Si](C)(CCc1cccc(C(F)(F)F)c1)OC.
What is the InChIKey of dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
The InChIKey is SCXAVEIHSKSJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O2Si/c1-16-18(3,17-2)8-7-10-5-4-6-11(9-10)12(13,14)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane?
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane has a molecular weight of 278.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane is sourced from PubChem (CID 90174085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).