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

C11H15F4NO4 — CID 10828122

IUPAC[(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](C)O[C@@H](F)C[C@@]1(C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H15F4NO4/c1-5-8(20-6(2)17)10(3,4-7(12)19-5)16-9(18)11(13,14)15/h5,7-8H,4H2,1-3H3,(H,16,18)/t5-,7+,8-,10+/m0/s1
InChIKeyWONJVILPRZIPBY-LHGNLISDSA-N
MW301.24 g/mol
LogP1.46
Rot. Bonds2

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

[(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate (PubChem CID 10828122) has the molecular formula C11H15F4NO4 and a molecular weight of 301.24 g/mol. Its IUPAC name is [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
PubChem CID10828122
Molecular FormulaC11H15F4NO4
Molecular Weight301.24 g/mol
Exact Mass301.09
IUPAC Name[(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](C)O[C@@H](F)C[C@@]1(C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H15F4NO4/c1-5-8(20-6(2)17)10(3,4-7(12)19-5)16-9(18)11(13,14)15/h5,7-8H,4H2,1-3H3,(H,16,18)/t5-,7+,8-,10+/m0/s1
InChIKeyWONJVILPRZIPBY-LHGNLISDSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(2S,3S,4S,6S)-6-methoxy-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] benzoate
CID 11653681
[(2R,3S,4S,6S)-6-methoxy-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] benzoate
CID 71652603
[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 15143831
[(2R,3R,4R,6S)-3,4-diacetyloxy-5-(4-methylphenyl)-6-sulfanyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 175533587
[(2S,3S,4S,6R)-2-methyl-6-(2-oxoethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 10448151
[(2S,3R,4R)-4,5-diacetyloxy-2,4-dimethyloxolan-3-yl] acetate
CID 101385511
[(1S,3S,4S,5S,6S)-5-hydroxy-3,5-dimethyl-2,7-dioxabicyclo[4.1.0]heptan-4-yl] acetate
CID 101230085
[3,4-diacetyloxy-6-fluoro-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 4119878
[(2R,3S,4R,5R,6S)-2,3,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
CID 97302312
[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate
CID 11482550
methyl 3-[(2R,4S,5S,6R)-4-azido-5-hydroxy-6-methyloxan-2-yl]-5-[(2S,4S,5S,6S)-5-benzoyloxy-4,6-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]-2,6-dihydroxybenzoate
CID 101404997
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-fluoro-2-methyloxan-3-yl] acetate
CID 124525156

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate (CID 10828122) is [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](C)O[C@@H](F)C[C@@]1(C)NC(=O)C(F)(F)F.
What is the InChIKey of [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
The InChIKey is WONJVILPRZIPBY-LHGNLISDSA-N. The full InChI is InChI=1S/C11H15F4NO4/c1-5-8(20-6(2)17)10(3,4-7(12)19-5)16-9(18)11(13,14)15/h5,7-8H,4H2,1-3H3,(H,16,18)/t5-,7+,8-,10+/m0/s1.
What are the key properties of [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate?
[(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate has a molecular weight of 301.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,6S)-6-fluoro-2,4-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate is sourced from PubChem (CID 10828122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).