3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane

C13H20ClF3Si — CID 157494936

IUPAC3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane
SMILESC.C[Si](CCCCl)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16ClF3Si.CH4/c1-17(9-5-8-13,10-12(14,15)16)11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3;1H4
InChIKeyBXSDYPFMDSXVNN-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.80
Rot. Bonds5

About 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane

3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane (PubChem CID 157494936) has the molecular formula C13H20ClF3Si and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane.

Molecular Properties

Compound Name3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane
PubChem CID157494936
Molecular FormulaC13H20ClF3Si
Molecular Weight296.84 g/mol
Exact Mass296.10
IUPAC Name3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane
SMILESC.C[Si](CCCCl)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H16ClF3Si.CH4/c1-17(9-5-8-13,10-12(14,15)16)11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3;1H4
InChIKeyBXSDYPFMDSXVNN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane
CID 71387414
dihexyl-methyl-phenylsilane
CID 71342172
2-(ethyl-methyl-phenylsilyl)ethanol
CID 123225055
dimethyl-(6-phenyl-3-pyridinyl)-(2,2,2-trifluoroethyl)silane
CID 169052729
trimethyl-[[methyl-phenyl-(trimethylsilylmethyl)silyl]methyl]silane
CID 101209454
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
dichloro-(2-chloroethyl)-phenylsilane
CID 21404932
bis(bromomethyl)-methyl-phenylsilane
CID 10924851
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
dibenzyl-methyl-phenylsilane
CID 71342171
[4-(chloromethyl)phenyl]-[dimethyl(phenyl)silyl]-dimethylsilane
CID 20675770
fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride
CID 174679622

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane?
The IUPAC name of 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane (CID 157494936) is 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane.
What is the SMILES notation for 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane?
The canonical SMILES for 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane is C.C[Si](CCCCl)(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane?
The InChIKey is BXSDYPFMDSXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3Si.CH4/c1-17(9-5-8-13,10-12(14,15)16)11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3;1H4.
What are the key properties of 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane?
3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane has a molecular weight of 296.84 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane is sourced from PubChem (CID 157494936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).