N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide

C16H23F4NO2Si — CID 165047980

IUPACN-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc(OC(F)(F)C(F)(F)[Si](C)(C)C)cc1
InChIInChI=1S/C16H23F4NO2Si/c1-12(22)21(2)11-10-13-6-8-14(9-7-13)23-15(17,18)16(19,20)24(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyQZUKWNLFADHSSC-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.19
Rot. Bonds7

About N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide

N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide (PubChem CID 165047980) has the molecular formula C16H23F4NO2Si and a molecular weight of 365.44 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide
PubChem CID165047980
Molecular FormulaC16H23F4NO2Si
Molecular Weight365.44 g/mol
Exact Mass365.14
IUPAC NameN-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc(OC(F)(F)C(F)(F)[Si](C)(C)C)cc1
InChIInChI=1S/C16H23F4NO2Si/c1-12(22)21(2)11-10-13-6-8-14(9-7-13)23-15(17,18)16(19,20)24(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyQZUKWNLFADHSSC-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.19
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-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide (CID 165047980) is N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide is CC(=O)N(C)CCc1ccc(OC(F)(F)C(F)(F)[Si](C)(C)C)cc1.
What is the InChIKey of N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide?
The InChIKey is QZUKWNLFADHSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4NO2Si/c1-12(22)21(2)11-10-13-6-8-14(9-7-13)23-15(17,18)16(19,20)24(3,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide?
N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 165047980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).