2,2,3-trifluoro-3-hydroxybutanamide

C4H6F3NO2 — CID 123215830

IUPAC2,2,3-trifluoro-3-hydroxybutanamide
SMILESCC(O)(F)C(F)(F)C(N)=O
InChIInChI=1S/C4H6F3NO2/c1-3(5,10)4(6,7)2(8)9/h10H,1H3,(H2,8,9)
InChIKeyQKKUCLHYWCPKJM-UHFFFAOYSA-N
MW157.09 g/mol
LogP-0.22
Rot. Bonds2

About 2,2,3-trifluoro-3-hydroxybutanamide

2,2,3-trifluoro-3-hydroxybutanamide (PubChem CID 123215830) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-hydroxybutanamide.

Molecular Properties

Compound Name2,2,3-trifluoro-3-hydroxybutanamide
PubChem CID123215830
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2,2,3-trifluoro-3-hydroxybutanamide
SMILESCC(O)(F)C(F)(F)C(N)=O
InChIInChI=1S/C4H6F3NO2/c1-3(5,10)4(6,7)2(8)9/h10H,1H3,(H2,8,9)
InChIKeyQKKUCLHYWCPKJM-UHFFFAOYSA-N
XLogP-0.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142633616
2-fluoro-2-nitropropanamide
CID 15731609
2-hydroxy-2-methoxypropanamide
CID 57235393
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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-hydroxybutanamide?
The IUPAC name of 2,2,3-trifluoro-3-hydroxybutanamide (CID 123215830) is 2,2,3-trifluoro-3-hydroxybutanamide.
What is the SMILES notation for 2,2,3-trifluoro-3-hydroxybutanamide?
The canonical SMILES for 2,2,3-trifluoro-3-hydroxybutanamide is CC(O)(F)C(F)(F)C(N)=O.
What is the InChIKey of 2,2,3-trifluoro-3-hydroxybutanamide?
The InChIKey is QKKUCLHYWCPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-3(5,10)4(6,7)2(8)9/h10H,1H3,(H2,8,9).
What are the key properties of 2,2,3-trifluoro-3-hydroxybutanamide?
2,2,3-trifluoro-3-hydroxybutanamide has a molecular weight of 157.09 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-hydroxybutanamide is sourced from PubChem (CID 123215830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).