2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide

C10H16F3NO4 — CID 88768393

IUPAC2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide
SMILESCO[C@@]1(C)[C@@H](NC(=O)C(F)(F)F)C[C@H](O)O[C@H]1C
InChIInChI=1S/C10H16F3NO4/c1-5-9(2,17-3)6(4-7(15)18-5)14-8(16)10(11,12)13/h5-7,15H,4H2,1-3H3,(H,14,16)/t5-,6-,7+,9+/m0/s1
InChIKeyHFKKCFCXFASVPD-XZMZPDFPSA-N
MW271.24 g/mol
LogP0.57
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide

2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide (PubChem CID 88768393) has the molecular formula C10H16F3NO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide
PubChem CID88768393
Molecular FormulaC10H16F3NO4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Name2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide
SMILESCO[C@@]1(C)[C@@H](NC(=O)C(F)(F)F)C[C@H](O)O[C@H]1C
InChIInChI=1S/C10H16F3NO4/c1-5-9(2,17-3)6(4-7(15)18-5)14-8(16)10(11,12)13/h5-7,15H,4H2,1-3H3,(H,14,16)/t5-,6-,7+,9+/m0/s1
InChIKeyHFKKCFCXFASVPD-XZMZPDFPSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-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

N-[(2S,3R,4S)-6-chloro-3-methoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 88767486
N-[(2S,3R,4S)-3,6-dihydroxy-2-methyl-3-methylsulfonyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 86750394
N-[(2R,3R,4R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]-2,2,2-trifluoroacetamide
CID 56981156
[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 15143831
N-[(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 11130786
N-(6-aminooxy-3-hydroxy-2-methyloxan-4-yl)-2,2,2-trifluoroacetamide
CID 162576238
N-[(4S,6S)-2-chloro-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 13002967
N-[(2R,3R,4S,6R)-6-bromo-3-hydroxy-2-methyl-3-(4-nitrobenzoyl)oxan-4-yl]-2,2,2-trifluoroacetamide
CID 57271170
2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide
CID 132568112
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
methyl 2-(1-adamantyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2835991
N-[(2S,4S,5R,6R)-2,5-dihydroxy-6-methyl-2,5-dipentyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 88719743

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide (CID 88768393) is 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide is CO[C@@]1(C)[C@@H](NC(=O)C(F)(F)F)C[C@H](O)O[C@H]1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The InChIKey is HFKKCFCXFASVPD-XZMZPDFPSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-5-9(2,17-3)6(4-7(15)18-5)14-8(16)10(11,12)13/h5-7,15H,4H2,1-3H3,(H,14,16)/t5-,6-,7+,9+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide has a molecular weight of 271.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 88768393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).