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

C11H18F3NO4 — CID 88745921

IUPACN-[(2R,3R,4S,6S)-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+/m1/s1
InChIKeyVQXTZOUZFZBCSI-VEVYYDQMSA-N
MW285.26 g/mol
LogP1.22
Rot. Bonds3

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

N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 88745921) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
PubChem CID88745921
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC NameN-[(2R,3R,4S,6S)-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+/m1/s1
InChIKeyVQXTZOUZFZBCSI-VEVYYDQMSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide (CID 88745921) is N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R,3R,4S,6S)-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-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VQXTZOUZFZBCSI-VEVYYDQMSA-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+/m1/s1.
What are the key properties of N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide?
N-[(2R,3R,4S,6S)-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-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88745921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).