[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate

C10H14F3NO5 — CID 15143831

IUPAC[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](C)O[C@H](O)C[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-4-8(19-5(2)15)6(3-7(16)18-4)14-9(17)10(11,12)13/h4,6-8,16H,3H2,1-2H3,(H,14,17)/t4-,6+,7-,8-/m0/s1
InChIKeyDPLRHOYKSIFHCE-UCVXFZOQSA-N
MW285.22 g/mol
LogP0.09
Rot. Bonds2

About [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate

[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate (PubChem CID 15143831) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
PubChem CID15143831
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](C)O[C@H](O)C[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-4-8(19-5(2)15)6(3-7(16)18-4)14-9(17)10(11,12)13/h4,6-8,16H,3H2,1-2H3,(H,14,17)/t4-,6+,7-,8-/m0/s1
InChIKeyDPLRHOYKSIFHCE-UCVXFZOQSA-N
XLogP0.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate with MolForge

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Related Compounds

[(2S,3S,4S,6R)-2-methyl-6-(2-oxoethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 10448151
[(2S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 102013077
[(2S,3S,4S,6S)-2-methyl-6-[(2E)-penta-2,4-dienyl]-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 10337017
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
CID 156614307
N-[(2R,3R,4R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]-2,2,2-trifluoroacetamide
CID 56981156
N-(6-aminooxy-3-hydroxy-2-methyloxan-4-yl)-2,2,2-trifluoroacetamide
CID 162576238
N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
CID 13387486
[(2S,3R,4S)-6-hydroxy-2-methyl-3-[(2S,4S,5S,6S)-6-methyl-5-(4-nitrobenzoyl)oxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxyoxan-4-yl] 4-nitrobenzoate
CID 10699652
[(2R,3S,4R,5R,6S)-2,3,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
CID 97302312
[(3S,3aS,5R,6R,6aR)-6-acetyloxy-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10618029
[(2R,3R,4S,6R)-6-chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate
CID 88696217
[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-[chloro(difluoro)methyl]-2-methyloxan-3-yl] acetate
CID 91145140

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate (CID 15143831) is [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](C)O[C@H](O)C[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
The InChIKey is DPLRHOYKSIFHCE-UCVXFZOQSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-4-8(19-5(2)15)6(3-7(16)18-4)14-9(17)10(11,12)13/h4,6-8,16H,3H2,1-2H3,(H,14,17)/t4-,6+,7-,8-/m0/s1.
What are the key properties of [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate has a molecular weight of 285.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate is sourced from PubChem (CID 15143831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).