N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide

C5H8F3NO2 — CID 121358026

IUPACN-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(11)9-4(2-10)5(6,7)8/h4,10H,2H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyPNGRPOQOROIHEZ-BYPYZUCNSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

About N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide

N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide (PubChem CID 121358026) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
PubChem CID121358026
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(11)9-4(2-10)5(6,7)8/h4,10H,2H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyPNGRPOQOROIHEZ-BYPYZUCNSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide (CID 121358026) is N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide is CC(=O)N[C@@H](CO)C(F)(F)F.
What is the InChIKey of N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
The InChIKey is PNGRPOQOROIHEZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(11)9-4(2-10)5(6,7)8/h4,10H,2H2,1H3,(H,9,11)/t4-/m0/s1.
What are the key properties of N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide?
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide has a molecular weight of 171.12 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 121358026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).