N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C5H8F3NO2 — CID 59473950

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(=O)NCC(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)
InChIKeyIOSYLCDCXQESSD-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

About N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 59473950) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID59473950
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(=O)NCC(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)
InChIKeyIOSYLCDCXQESSD-UHFFFAOYSA-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-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 59473950) is N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is IOSYLCDCXQESSD-UHFFFAOYSA-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).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
N-(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-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 59473950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).