2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide

C10H14F3NO5 — CID 56927329

IUPAC2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide
SMILESCC12COC([C@H](CO)NC(=O)C(F)(F)F)(OC1)OC2
InChIInChI=1S/C10H14F3NO5/c1-8-3-17-10(18-4-8,19-5-8)6(2-15)14-7(16)9(11,12)13/h6,15H,2-5H2,1H3,(H,14,16)/t6-,8?,10?/m0/s1
InChIKeyDUXHPXAVEIKRGE-OHBIBWSRSA-N
MW285.22 g/mol
LogP-0.24
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide (PubChem CID 56927329) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide
PubChem CID56927329
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide
SMILESCC12COC([C@H](CO)NC(=O)C(F)(F)F)(OC1)OC2
InChIInChI=1S/C10H14F3NO5/c1-8-3-17-10(18-4-8,19-5-8)6(2-15)14-7(16)9(11,12)13/h6,15H,2-5H2,1H3,(H,14,16)/t6-,8?,10?/m0/s1
InChIKeyDUXHPXAVEIKRGE-OHBIBWSRSA-N
XLogP-0.24
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide (CID 56927329) is 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide is CC12COC([C@H](CO)NC(=O)C(F)(F)F)(OC1)OC2.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide?
The InChIKey is DUXHPXAVEIKRGE-OHBIBWSRSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-8-3-17-10(18-4-8,19-5-8)6(2-15)14-7(16)9(11,12)13/h6,15H,2-5H2,1H3,(H,14,16)/t6-,8?,10?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide has a molecular weight of 285.22 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide is sourced from PubChem (CID 56927329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).