N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide

C5H8F3NO2 — CID 121358066

IUPACN-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)9-2-4(11)5(6,7)8/h4,11H,2H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyIOSYLCDCXQESSD-SCSAIBSYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

About N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide

N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide (PubChem CID 121358066) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide
PubChem CID121358066
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)9-2-4(11)5(6,7)8/h4,11H,2H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyIOSYLCDCXQESSD-SCSAIBSYSA-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-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide (CID 121358066) is N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide is CC(=O)NC[C@@H](O)C(F)(F)F.
What is the InChIKey of N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
The InChIKey is IOSYLCDCXQESSD-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(10)9-2-4(11)5(6,7)8/h4,11H,2H2,1H3,(H,9,10)/t4-/m1/s1.
What are the key properties of N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]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-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]acetamide is sourced from PubChem (CID 121358066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).