N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide

C9H15F3N2O3 — CID 10106433

IUPACN-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCO[C@H]1O[C@H](CNC(=O)C(F)(F)F)CC[C@H]1N
InChIInChI=1S/C9H15F3N2O3/c1-16-7-6(13)3-2-5(17-7)4-14-8(15)9(10,11)12/h5-7H,2-4,13H2,1H3,(H,14,15)/t5-,6+,7-/m0/s1
InChIKeyTWFPSGZFHCTMRP-XVMARJQXSA-N
MW256.22 g/mol
LogP0.14
Rot. Bonds3

About N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 10106433) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID10106433
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC NameN-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCO[C@H]1O[C@H](CNC(=O)C(F)(F)F)CC[C@H]1N
InChIInChI=1S/C9H15F3N2O3/c1-16-7-6(13)3-2-5(17-7)4-14-8(15)9(10,11)12/h5-7H,2-4,13H2,1H3,(H,14,15)/t5-,6+,7-/m0/s1
InChIKeyTWFPSGZFHCTMRP-XVMARJQXSA-N
XLogP0.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide (CID 10106433) is N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide is CO[C@H]1O[C@H](CNC(=O)C(F)(F)F)CC[C@H]1N.
What is the InChIKey of N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is TWFPSGZFHCTMRP-XVMARJQXSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-16-7-6(13)3-2-5(17-7)4-14-8(15)9(10,11)12/h5-7H,2-4,13H2,1H3,(H,14,15)/t5-,6+,7-/m0/s1.
What are the key properties of N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 256.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R,6S)-5-amino-6-methoxyoxan-2-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10106433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).