N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline

C11H14F5NO2Si — CID 90172459

IUPACN-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline
SMILESCC[Si](OC)(OC)C(F)(F)N(F)c1cccc(F)c1F
InChIInChI=1S/C11H14F5NO2Si/c1-4-20(18-2,19-3)11(14,15)17(16)9-7-5-6-8(12)10(9)13/h5-7H,4H2,1-3H3
InChIKeyPUKUQTIORVHTDJ-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.54
Rot. Bonds6

About N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline

N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline (PubChem CID 90172459) has the molecular formula C11H14F5NO2Si and a molecular weight of 315.31 g/mol. Its IUPAC name is N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline.

Molecular Properties

Compound NameN-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline
PubChem CID90172459
Molecular FormulaC11H14F5NO2Si
Molecular Weight315.31 g/mol
Exact Mass315.07
IUPAC NameN-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline
SMILESCC[Si](OC)(OC)C(F)(F)N(F)c1cccc(F)c1F
InChIInChI=1S/C11H14F5NO2Si/c1-4-20(18-2,19-3)11(14,15)17(16)9-7-5-6-8(12)10(9)13/h5-7H,4H2,1-3H3
InChIKeyPUKUQTIORVHTDJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline?
The IUPAC name of N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline (CID 90172459) is N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline.
What is the SMILES notation for N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline?
The canonical SMILES for N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline is CC[Si](OC)(OC)C(F)(F)N(F)c1cccc(F)c1F.
What is the InChIKey of N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline?
The InChIKey is PUKUQTIORVHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5NO2Si/c1-4-20(18-2,19-3)11(14,15)17(16)9-7-5-6-8(12)10(9)13/h5-7H,4H2,1-3H3.
What are the key properties of N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline?
N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline has a molecular weight of 315.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline is sourced from PubChem (CID 90172459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).