N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide

C11H18F3NO4 — CID 86737719

IUPACN-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
SMILESCO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@](C)(OC)[C@H](C)O1
InChIInChI=1S/C11H18F3NO4/c1-6-10(2,18-4)7(5-8(17-3)19-6)15-9(16)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,16)/t6-,7-,8+,10+/m0/s1
InChIKeyVQXTZOUZFZBCSI-QHOPCYEYSA-N
MW285.26 g/mol
LogP1.22
Rot. Bonds3

About N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide

N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 86737719) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
PubChem CID86737719
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC NameN-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
SMILESCO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@](C)(OC)[C@H](C)O1
InChIInChI=1S/C11H18F3NO4/c1-6-10(2,18-4)7(5-8(17-3)19-6)15-9(16)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,16)/t6-,7-,8+,10+/m0/s1
InChIKeyVQXTZOUZFZBCSI-QHOPCYEYSA-N
XLogP1.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

Methyl N-trifluoroacetyldaunosaminide
CID 323889
[(2S,3S,4R,5R,6R)-5-acetyloxy-6-methoxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 11132051
F-FucNAc
CID 156582326
[(2S,3S,4R,5R,6S)-5,6-diacetyloxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 11760812
[(2S,4S,5S,6S)-5-acetyloxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] acetate
CID 14336156
Methyl N-acetylactinosaminide
CID 123131923
(4S,5S,6S)-6-methyl-5-[(2,2,2-trifluoroacetyl)oxy]-4-(2,2,2-trifluoroacetamido)oxan-2-yl 2,2,2-trifluoroacetate
CID 134990994
1,3,4-Tri-O-acetyl-2-N-(trifluoroacetyl)-beta-L-fucose
CID 139086311
[3-Acetyloxy-2-methoxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
CID 266059
[5-Acetyloxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] acetate
CID 325717
Methyl 4-O-acetyl-2,6,-trideoxy-3-N-trifluoroacetamido-L-lyxo-hexopyranoside
CID 367307
N-[6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide
CID 552821

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide (CID 86737719) is N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide is CO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@](C)(OC)[C@H](C)O1.
What is the InChIKey of N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VQXTZOUZFZBCSI-QHOPCYEYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-6-10(2,18-4)7(5-8(17-3)19-6)15-9(16)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,16)/t6-,7-,8+,10+/m0/s1.
What are the key properties of N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 285.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S,6R)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86737719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).