tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane

C17H25F4NO2Si — CID 175430034

IUPACtert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane
SMILESC=C(OCC)c1ccnc(C(F)(O[Si](C)(C)C(C)(C)C)C(F)F)c1F
InChIInChI=1S/C17H25F4NO2Si/c1-8-23-11(2)12-9-10-22-14(13(12)18)17(21,15(19)20)24-25(6,7)16(3,4)5/h9-10,15H,2,8H2,1,3-7H3
InChIKeyNCAODBKNJKLJJL-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.64
Rot. Bonds7

About tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane

tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane (PubChem CID 175430034) has the molecular formula C17H25F4NO2Si and a molecular weight of 379.47 g/mol. Its IUPAC name is tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane
PubChem CID175430034
Molecular FormulaC17H25F4NO2Si
Molecular Weight379.47 g/mol
Exact Mass379.16
IUPAC Nametert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane
SMILESC=C(OCC)c1ccnc(C(F)(O[Si](C)(C)C(C)(C)C)C(F)F)c1F
InChIInChI=1S/C17H25F4NO2Si/c1-8-23-11(2)12-9-10-22-14(13(12)18)17(21,15(19)20)24-25(6,7)16(3,4)5/h9-10,15H,2,8H2,1,3-7H3
InChIKeyNCAODBKNJKLJJL-UHFFFAOYSA-N
XLogP5.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate
CID 175430029
3-(1-ethoxyethenyl)-2-fluoroaniline
CID 165464592
tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
CID 162681170
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]propan-1-one
CID 161227421
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-2-methylbutan-1-one
CID 142587135
3-(1-ethoxyethenyl)pyridin-4-amine
CID 165464392
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
tert-butyl-[[2-(1-ethoxyethenyl)-1,3-thiazol-5-yl]methoxy]-dimethylsilane
CID 162684133
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylate
CID 118704262
11-(1-ethoxyethenyl)-2,9-dimethyl-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-7-carbaldehyde
CID 101410731

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane (CID 175430034) is tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane is C=C(OCC)c1ccnc(C(F)(O[Si](C)(C)C(C)(C)C)C(F)F)c1F.
What is the InChIKey of tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane?
The InChIKey is NCAODBKNJKLJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F4NO2Si/c1-8-23-11(2)12-9-10-22-14(13(12)18)17(21,15(19)20)24-25(6,7)16(3,4)5/h9-10,15H,2,8H2,1,3-7H3.
What are the key properties of tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane?
tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane has a molecular weight of 379.47 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-1,2,2-trifluoroethoxy]-dimethylsilane is sourced from PubChem (CID 175430034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).