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

C17H18F6N2O4 — CID 14732920

IUPAC2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide
SMILESC[C@@H]1O[C@@H](OCc2ccccc2)C[C@H](NC(=O)C(F)(F)F)[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C17H18F6N2O4/c1-9-13(25-15(27)17(21,22)23)11(24-14(26)16(18,19)20)7-12(29-9)28-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3,(H,24,26)(H,25,27)/t9-,11-,12+,13+/m0/s1
InChIKeyYCVNOLKYNHCRBD-FTYKPCCVSA-N
MW428.33 g/mol
LogP2.43
Rot. Bonds5

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

2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide (PubChem CID 14732920) has the molecular formula C17H18F6N2O4 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide
PubChem CID14732920
Molecular FormulaC17H18F6N2O4
Molecular Weight428.33 g/mol
Exact Mass428.12
IUPAC Name2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide
SMILESC[C@@H]1O[C@@H](OCc2ccccc2)C[C@H](NC(=O)C(F)(F)F)[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C17H18F6N2O4/c1-9-13(25-15(27)17(21,22)23)11(24-14(26)16(18,19)20)7-12(29-9)28-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3,(H,24,26)(H,25,27)/t9-,11-,12+,13+/m0/s1
InChIKeyYCVNOLKYNHCRBD-FTYKPCCVSA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide (CID 14732920) is 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide is C[C@@H]1O[C@@H](OCc2ccccc2)C[C@H](NC(=O)C(F)(F)F)[C@@H]1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide?
The InChIKey is YCVNOLKYNHCRBD-FTYKPCCVSA-N. The full InChI is InChI=1S/C17H18F6N2O4/c1-9-13(25-15(27)17(21,22)23)11(24-14(26)16(18,19)20)7-12(29-9)28-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3,(H,24,26)(H,25,27)/t9-,11-,12+,13+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3S,4S,6R)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide has a molecular weight of 428.33 g/mol, XLogP of 2.43, 5 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)-2-methyl-6-phenylmethoxy-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl]acetamide is sourced from PubChem (CID 14732920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).