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

C5H8F3NO2 — CID 60999629

IUPAC2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)2-9-4(11)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)
InChIKeyIHXVYYVRMVJWQJ-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

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

2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide (PubChem CID 60999629) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
PubChem CID60999629
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)2-9-4(11)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)
InChIKeyIHXVYYVRMVJWQJ-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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Related Compounds

N-(2-hydroxyethyl)lactamide
CID 95457
N-(3-Hydroxybutan-2-yl)acetamide
CID 19845146
N-Trifluoroacetyl-2-aminoethanol
CID 95211
Propionylaminoethanol
CID 87536
N-Ethyl-2-hydroxypropionamide
CID 95456
N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
2-Hydroxy-n-(2-hydroxypropyl)propanamide
CID 221331
2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
(2S)-N-ethyl-2-hydroxypropanamide
CID 45085116
N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 23504043
Trifluoracetamidopropanol
CID 129757391
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide (CID 60999629) is 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide?
The InChIKey is IHXVYYVRMVJWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(10)2-9-4(11)5(6,7)8/h3,10H,2H2,1H3,(H,9,11).
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide?
2,2,2-trifluoro-N-(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 2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 60999629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).