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

C5H8F3NO2 — CID 79030667

IUPAC2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(2-10)9-4(11)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)/t3-/m1/s1
InChIKeyFQZGFKHGAHLJBN-GSVOUGTGSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

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

2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 79030667) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID79030667
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(2-10)9-4(11)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)/t3-/m1/s1
InChIKeyFQZGFKHGAHLJBN-GSVOUGTGSA-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 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 79030667) is 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is FQZGFKHGAHLJBN-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(2-10)9-4(11)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)/t3-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-1-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 2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 79030667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).