2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide

C11H14F6N2O5 — CID 131883764

IUPAC2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide
SMILESCO[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](CNC(=O)C(F)(F)F)O1
InChIInChI=1S/C11H14F6N2O5/c1-23-6-2-4(19-9(22)11(15,16)17)7(20)5(24-6)3-18-8(21)10(12,13)14/h4-7,20H,2-3H2,1H3,(H,18,21)(H,19,22)/t4-,5+,6-,7-/m0/s1
InChIKeyVPTWVVAMILJEOL-VZFHVOOUSA-N
MW368.23 g/mol
LogP-0.17
Rot. Bonds4

About 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide (PubChem CID 131883764) has the molecular formula C11H14F6N2O5 and a molecular weight of 368.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide
PubChem CID131883764
Molecular FormulaC11H14F6N2O5
Molecular Weight368.23 g/mol
Exact Mass368.08
IUPAC Name2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide
SMILESCO[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](CNC(=O)C(F)(F)F)O1
InChIInChI=1S/C11H14F6N2O5/c1-23-6-2-4(19-9(22)11(15,16)17)7(20)5(24-6)3-18-8(21)10(12,13)14/h4-7,20H,2-3H2,1H3,(H,18,21)(H,19,22)/t4-,5+,6-,7-/m0/s1
InChIKeyVPTWVVAMILJEOL-VZFHVOOUSA-N
XLogP-0.17
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
N-(6-aminooxy-3-hydroxy-2-methyloxan-4-yl)-2,2,2-trifluoroacetamide
CID 162576238
N-[(3R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]-2,2,2-trifluoroacetamide
CID 10457413
(2S,3S,4S,6S)-3-benzoyloxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxane-2-carboxylic acid
CID 11618063
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 15143831
2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide
CID 11616084
N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 10106433
2,2,2-trifluoro-N-[(2R,3R,4S,6S)-3-hydroxy-2-methyl-6-[(2E)-penta-2,4-dienyl]oxan-4-yl]acetamide
CID 88671424
2,2,2-trifluoro-N-[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[(2E)-penta-2,4-dienyl]oxan-4-yl]acetamide
CID 88671422
[(2S,3R,4S,6S)-6-chloro-2-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] 2,2,2-trifluoroacetate
CID 88617038

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide (CID 131883764) is 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide is CO[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](CNC(=O)C(F)(F)F)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide?
The InChIKey is VPTWVVAMILJEOL-VZFHVOOUSA-N. The full InChI is InChI=1S/C11H14F6N2O5/c1-23-6-2-4(19-9(22)11(15,16)17)7(20)5(24-6)3-18-8(21)10(12,13)14/h4-7,20H,2-3H2,1H3,(H,18,21)(H,19,22)/t4-,5+,6-,7-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide has a molecular weight of 368.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(2R,3S,4S,6S)-3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 131883764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).