2-hydroxy-2-(trifluoromethyl)but-3-ynamide

C5H4F3NO2 — CID 21024133

IUPAC2-hydroxy-2-(trifluoromethyl)but-3-ynamide
SMILESC#CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c1-2-4(11,3(9)10)5(6,7)8/h1,11H,(H2,9,10)
InChIKeyAWARTVFMDSIENA-UHFFFAOYSA-N
MW167.09 g/mol
LogP-0.60
Rot. Bonds1

About 2-hydroxy-2-(trifluoromethyl)but-3-ynamide

2-hydroxy-2-(trifluoromethyl)but-3-ynamide (PubChem CID 21024133) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 2-hydroxy-2-(trifluoromethyl)but-3-ynamide.

Molecular Properties

Compound Name2-hydroxy-2-(trifluoromethyl)but-3-ynamide
PubChem CID21024133
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name2-hydroxy-2-(trifluoromethyl)but-3-ynamide
SMILESC#CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c1-2-4(11,3(9)10)5(6,7)8/h1,11H,(H2,9,10)
InChIKeyAWARTVFMDSIENA-UHFFFAOYSA-N
XLogP-0.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis((2S)-2-(aminomethyl)-3,3,3-trifluoro-2-hydroxypropanamide);hydrochloride
CID 158969435
2-(bromomethyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 90424362
2,3-difluoro-2-hydroxypropanamide
CID 166508144
2,2,3-trifluoro-3-hydroxybutanamide
CID 123215830
dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol
CID 175351943
acetic acid;2,2,2-trifluoroacetamide
CID 172805732
2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide
CID 138558233
prop-2-yn-1-amine;2,2,2-trifluoroacetic acid
CID 172715928
2,3-difluoropent-4-yne-2,3-diol
CID 91222968
2,2,3,3-tetrafluoro-3-iodopropanamide
CID 10945538
3-chloro-2,2,3,3-tetrafluoropropanamide
CID 4611966
2,2-diphenylbut-3-ynamide
CID 102000055

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(trifluoromethyl)but-3-ynamide?
The IUPAC name of 2-hydroxy-2-(trifluoromethyl)but-3-ynamide (CID 21024133) is 2-hydroxy-2-(trifluoromethyl)but-3-ynamide.
What is the SMILES notation for 2-hydroxy-2-(trifluoromethyl)but-3-ynamide?
The canonical SMILES for 2-hydroxy-2-(trifluoromethyl)but-3-ynamide is C#CC(O)(C(N)=O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-(trifluoromethyl)but-3-ynamide?
The InChIKey is AWARTVFMDSIENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c1-2-4(11,3(9)10)5(6,7)8/h1,11H,(H2,9,10).
What are the key properties of 2-hydroxy-2-(trifluoromethyl)but-3-ynamide?
2-hydroxy-2-(trifluoromethyl)but-3-ynamide has a molecular weight of 167.09 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(trifluoromethyl)but-3-ynamide is sourced from PubChem (CID 21024133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).