N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide

C16H24F3NO2Si — CID 91753864

IUPACN-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
SMILESCCN(C(=O)C(F)(F)F)C(C)C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H24F3NO2Si/c1-6-20(15(21)16(17,18)19)12(2)14(22-23(3,4)5)13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3
InChIKeyYAUFHELSKIKDDY-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.38
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide

N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide (PubChem CID 91753864) has the molecular formula C16H24F3NO2Si and a molecular weight of 347.45 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
PubChem CID91753864
Molecular FormulaC16H24F3NO2Si
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
SMILESCCN(C(=O)C(F)(F)F)C(C)C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H24F3NO2Si/c1-6-20(15(21)16(17,18)19)12(2)14(22-23(3,4)5)13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3
InChIKeyYAUFHELSKIKDDY-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753971
(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
CID 24769790
(1S,2S)-N-methyl-1-phenyl-N-trimethylsilyl-1-trimethylsilyloxypropan-2-amine
CID 102239963
2-phenyl-N-[(1S,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753974
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol
CID 72713135
(2-fluoro-1-phenylpropyl) 2,2,2-trifluoroacetate
CID 154716345
ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate
CID 11190937
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
(3S)-N-[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-1-phenylpropan-2-yl]-3-(dibenzylamino)-N-methylbutanamide
CID 11607153
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide (CID 91753864) is N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide is CCN(C(=O)C(F)(F)F)C(C)C(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide?
The InChIKey is YAUFHELSKIKDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO2Si/c1-6-20(15(21)16(17,18)19)12(2)14(22-23(3,4)5)13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide has a molecular weight of 347.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide is sourced from PubChem (CID 91753864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).