2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide

C8H11F3NO8- — CID 140650415

IUPAC2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide
SMILESO=C(NC1[C@H](O)OC(COO[O-])[C@@H](O)[C@@H]1O)C(F)(F)F
InChIInChI=1S/C8H12F3NO8/c9-8(10,11)7(16)12-3-5(14)4(13)2(1-18-20-17)19-6(3)15/h2-6,13-15,17H,1H2,(H,12,16)/p-1/t2?,3?,4-,5-,6-/m1/s1
InChIKeyPXXXCGWDYKXRRY-YHMDAOSXSA-M
MW306.17 g/mol
LogP-3.30
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide

2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide (PubChem CID 140650415) has the molecular formula C8H11F3NO8- and a molecular weight of 306.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide
PubChem CID140650415
Molecular FormulaC8H11F3NO8-
Molecular Weight306.17 g/mol
Exact Mass306.04
IUPAC Name2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide
SMILESO=C(NC1[C@H](O)OC(COO[O-])[C@@H](O)[C@@H]1O)C(F)(F)F
InChIInChI=1S/C8H12F3NO8/c9-8(10,11)7(16)12-3-5(14)4(13)2(1-18-20-17)19-6(3)15/h2-6,13-15,17H,1H2,(H,12,16)/p-1/t2?,3?,4-,5-,6-/m1/s1
InChIKeyPXXXCGWDYKXRRY-YHMDAOSXSA-M
XLogP-3.30
TPSA140.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 5-3.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(4R,5S)-2,4,5-trihydroxy-6-(trioxidanylmethyl)oxan-3-yl]acetamide
CID 90352182
[(3S,4R)-3,4,6-trihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl hydrogen sulfate
CID 90352174
2,2,2-trifluoro-N-[(4S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 172641852
N-[(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide
CID 171126171
2,2,2-trifluoro-N-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 51055827
[(3S,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 135070648
2,2,2-trichloro-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129387737
N-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]-2,2,2-trifluoroacetamide
CID 138660653
[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methyl butanoate
CID 139295403
[(2R,3R,4R,5R,6S)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,4-dihydroxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl 2-chloroacetate
CID 71682100
sodium (5-acetamido-3,4,6-trihydroxyoxan-2-yl)methyl hydrogen phosphate
CID 163304471
[(2R,3R,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 46936841

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide (CID 140650415) is 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide is O=C(NC1[C@H](O)OC(COO[O-])[C@@H](O)[C@@H]1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide?
The InChIKey is PXXXCGWDYKXRRY-YHMDAOSXSA-M. The full InChI is InChI=1S/C8H12F3NO8/c9-8(10,11)7(16)12-3-5(14)4(13)2(1-18-20-17)19-6(3)15/h2-6,13-15,17H,1H2,(H,12,16)/p-1/t2?,3?,4-,5-,6-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide?
2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide has a molecular weight of 306.17 g/mol, XLogP of -3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(oxidoperoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 140650415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).