N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide

C8H12F3NO4 — CID 134996076

IUPACN-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESC[C@H]1O[C@@H](CNC(=O)C(F)(F)F)[C@H](O)[C@H]1O
InChIInChI=1S/C8H12F3NO4/c1-3-5(13)6(14)4(16-3)2-12-7(15)8(9,10)11/h3-6,13-14H,2H2,1H3,(H,12,15)/t3-,4+,5+,6+/m1/s1
InChIKeyMIOPYYRGQMEUME-VANKVMQKSA-N
MW243.18 g/mol
LogP-0.83
Rot. Bonds2

About N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 134996076) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID134996076
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC NameN-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESC[C@H]1O[C@@H](CNC(=O)C(F)(F)F)[C@H](O)[C@H]1O
InChIInChI=1S/C8H12F3NO4/c1-3-5(13)6(14)4(16-3)2-12-7(15)8(9,10)11/h3-6,13-14H,2H2,1H3,(H,12,15)/t3-,4+,5+,6+/m1/s1
InChIKeyMIOPYYRGQMEUME-VANKVMQKSA-N
XLogP-0.83
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide (CID 134996076) is N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide is C[C@H]1O[C@@H](CNC(=O)C(F)(F)F)[C@H](O)[C@H]1O.
What is the InChIKey of N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is MIOPYYRGQMEUME-VANKVMQKSA-N. The full InChI is InChI=1S/C8H12F3NO4/c1-3-5(13)6(14)4(16-3)2-12-7(15)8(9,10)11/h3-6,13-14H,2H2,1H3,(H,12,15)/t3-,4+,5+,6+/m1/s1.
What are the key properties of N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 243.18 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134996076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).