N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide

C15H34F3NO4Si3 — CID 91696802

IUPACN-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C15H34F3NO4Si3/c1-24(2,3)21-10-14(11-22-25(4,5)6,12-23-26(7,8)9)19-13(20)15(16,17)18/h10-12H2,1-9H3,(H,19,20)
InChIKeyLFQRITRFYUTBBV-UHFFFAOYSA-N
MW433.69 g/mol
LogP3.96
Rot. Bonds10

About N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide

N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 91696802) has the molecular formula C15H34F3NO4Si3 and a molecular weight of 433.69 g/mol. Its IUPAC name is N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID91696802
Molecular FormulaC15H34F3NO4Si3
Molecular Weight433.69 g/mol
Exact Mass433.17
IUPAC NameN-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C15H34F3NO4Si3/c1-24(2,3)21-10-14(11-22-25(4,5)6,12-23-26(7,8)9)19-13(20)15(16,17)18/h10-12H2,1-9H3,(H,19,20)
InChIKeyLFQRITRFYUTBBV-UHFFFAOYSA-N
XLogP3.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077
2,2,3,3-tetrafluoro-4-trimethylsilyloxybutan-1-ol
CID 141446755
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate
CID 174501695
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
CID 86602100
trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 22214318
2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
CID 91752756
N-[[tert-butyl(dimethyl)silyl]methyl]-2,2,2-trifluoroacetamide
CID 57099436
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 156694094
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide (CID 91696802) is N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide is C[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LFQRITRFYUTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34F3NO4Si3/c1-24(2,3)21-10-14(11-22-25(4,5)6,12-23-26(7,8)9)19-13(20)15(16,17)18/h10-12H2,1-9H3,(H,19,20).
What are the key properties of N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 433.69 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91696802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).