N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide

C17H16F11NO2Si — CID 165154368

IUPACN-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
SMILESC=C[Si](C)(C)c1cccc(N(C)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C17H16F11NO2Si/c1-5-32(3,4)11-8-6-7-10(9-11)29(2)12(30)13(18,15(21,22)23)31-17(27,28)14(19,20)16(24,25)26/h5-9H,1H2,2-4H3
InChIKeyYVCMGHYQURWXBV-UHFFFAOYSA-N
MW503.38 g/mol
LogP5.33
Rot. Bonds7

About N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide

N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide (PubChem CID 165154368) has the molecular formula C17H16F11NO2Si and a molecular weight of 503.38 g/mol. Its IUPAC name is N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
PubChem CID165154368
Molecular FormulaC17H16F11NO2Si
Molecular Weight503.38 g/mol
Exact Mass503.08
IUPAC NameN-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
SMILESC=C[Si](C)(C)c1cccc(N(C)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C17H16F11NO2Si/c1-5-32(3,4)11-8-6-7-10(9-11)29(2)12(30)13(18,15(21,22)23)31-17(27,28)14(19,20)16(24,25)26/h5-9H,1H2,2-4H3
InChIKeyYVCMGHYQURWXBV-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
The IUPAC name of N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide (CID 165154368) is N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide.
What is the SMILES notation for N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
The canonical SMILES for N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide is C=C[Si](C)(C)c1cccc(N(C)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
The InChIKey is YVCMGHYQURWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F11NO2Si/c1-5-32(3,4)11-8-6-7-10(9-11)29(2)12(30)13(18,15(21,22)23)31-17(27,28)14(19,20)16(24,25)26/h5-9H,1H2,2-4H3.
What are the key properties of N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide has a molecular weight of 503.38 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethenyl(dimethyl)silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide is sourced from PubChem (CID 165154368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).