N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide

C14H26F3NO4Si — CID 173314454

IUPACN-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1O[C@](O[SiH](C)C)(C(C)(C)C)C[C@H](NC(=O)C(F)(F)F)[C@@H]1O
InChIInChI=1S/C14H26F3NO4Si/c1-8-10(19)9(18-11(20)14(15,16)17)7-13(21-8,12(2,3)4)22-23(5)6/h8-10,19,23H,7H2,1-6H3,(H,18,20)/t8-,9-,10+,13+/m0/s1
InChIKeyARMUKOQUKKHCHX-QISWUMQESA-N
MW357.45 g/mol
LogP1.95
Rot. Bonds3

About N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide

N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 173314454) has the molecular formula C14H26F3NO4Si and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide
PubChem CID173314454
Molecular FormulaC14H26F3NO4Si
Molecular Weight357.45 g/mol
Exact Mass357.16
IUPAC NameN-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1O[C@](O[SiH](C)C)(C(C)(C)C)C[C@H](NC(=O)C(F)(F)F)[C@@H]1O
InChIInChI=1S/C14H26F3NO4Si/c1-8-10(19)9(18-11(20)14(15,16)17)7-13(21-8,12(2,3)4)22-23(5)6/h8-10,19,23H,7H2,1-6H3,(H,18,20)/t8-,9-,10+,13+/m0/s1
InChIKeyARMUKOQUKKHCHX-QISWUMQESA-N
XLogP1.95
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 ≤ 51.95
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-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide (CID 173314454) is N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide is C[C@@H]1O[C@](O[SiH](C)C)(C(C)(C)C)C[C@H](NC(=O)C(F)(F)F)[C@@H]1O.
What is the InChIKey of N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ARMUKOQUKKHCHX-QISWUMQESA-N. The full InChI is InChI=1S/C14H26F3NO4Si/c1-8-10(19)9(18-11(20)14(15,16)17)7-13(21-8,12(2,3)4)22-23(5)6/h8-10,19,23H,7H2,1-6H3,(H,18,20)/t8-,9-,10+,13+/m0/s1.
What are the key properties of N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide?
N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 357.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,5S,6S)-2-tert-butyl-2-dimethylsilyloxy-5-hydroxy-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 173314454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).