N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide

C14H20F3NO2Si — CID 10687105

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3NO2Si/c1-13(2,3)21(4,5)20-11-9-7-6-8-10(11)18-12(19)14(15,16)17/h6-9H,1-5H3,(H,18,19)
InChIKeyHWEWZGZNTPYJQY-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.57
Rot. Bonds3

About N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide

N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide (PubChem CID 10687105) has the molecular formula C14H20F3NO2Si and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide
PubChem CID10687105
Molecular FormulaC14H20F3NO2Si
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3NO2Si/c1-13(2,3)21(4,5)20-11-9-7-6-8-10(11)18-12(19)14(15,16)17/h6-9H,1-5H3,(H,18,19)
InChIKeyHWEWZGZNTPYJQY-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide (CID 10687105) is N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)Oc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide?
The InChIKey is HWEWZGZNTPYJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2Si/c1-13(2,3)21(4,5)20-11-9-7-6-8-10(11)18-12(19)14(15,16)17/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide has a molecular weight of 319.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10687105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).