N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide

C14H26F3NO4Si — CID 10861244

IUPACN-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](NC(=O)C(F)(F)F)[C@H]1O
InChIInChI=1S/C14H26F3NO4Si/c1-8-11(19)9(18-12(20)14(15,16)17)7-10(21-8)22-23(5,6)13(2,3)4/h8-11,19H,7H2,1-6H3,(H,18,20)/t8-,9-,10+,11-/m0/s1
InChIKeyPBPYFMCGEAOIOV-MMWGEVLESA-N
MW357.45 g/mol
LogP2.55
Rot. Bonds3

About N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide

N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 10861244) has the molecular formula C14H26F3NO4Si and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
PubChem CID10861244
Molecular FormulaC14H26F3NO4Si
Molecular Weight357.45 g/mol
Exact Mass357.16
IUPAC NameN-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](NC(=O)C(F)(F)F)[C@H]1O
InChIInChI=1S/C14H26F3NO4Si/c1-8-11(19)9(18-12(20)14(15,16)17)7-10(21-8)22-23(5,6)13(2,3)4/h8-11,19H,7H2,1-6H3,(H,18,20)/t8-,9-,10+,11-/m0/s1
InChIKeyPBPYFMCGEAOIOV-MMWGEVLESA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide (CID 10861244) is N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide is C[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](NC(=O)C(F)(F)F)[C@H]1O.
What is the InChIKey of N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is PBPYFMCGEAOIOV-MMWGEVLESA-N. The full InChI is InChI=1S/C14H26F3NO4Si/c1-8-11(19)9(18-12(20)14(15,16)17)7-10(21-8)22-23(5,6)13(2,3)4/h8-11,19H,7H2,1-6H3,(H,18,20)/t8-,9-,10+,11-/m0/s1.
What are the key properties of N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 357.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10861244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).