3,3,3-trifluoro-N-hydroxypropanamide

C3H4F3NO2 — CID 24695716

IUPAC3,3,3-trifluoro-N-hydroxypropanamide
SMILESO=C(CC(F)(F)F)NO
InChIInChI=1S/C3H4F3NO2/c4-3(5,6)1-2(8)7-9/h9H,1H2,(H,7,8)
InChIKeyDYJMFJHBHRYUBU-UHFFFAOYSA-N
MW143.06 g/mol
LogP0.44
Rot. Bonds1

About 3,3,3-trifluoro-N-hydroxypropanamide

3,3,3-trifluoro-N-hydroxypropanamide (PubChem CID 24695716) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-hydroxypropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-hydroxypropanamide
PubChem CID24695716
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Name3,3,3-trifluoro-N-hydroxypropanamide
SMILESO=C(CC(F)(F)F)NO
InChIInChI=1S/C3H4F3NO2/c4-3(5,6)1-2(8)7-9/h9H,1H2,(H,7,8)
InChIKeyDYJMFJHBHRYUBU-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-N-hydroxyacetamide
CID 13003311
2,2-difluoro-N-hydroxyacetamide
CID 13333223
3,4,4-trifluoro-N-hydroxybut-3-enamide
CID 15239182
3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
N-(difluoromethoxy)propanamide
CID 87581787
2-fluoro-N-hydroxypropanamide
CID 88277854
3-fluoro-N-hydroxypropanamide
CID 89974463
N-(trifluoromethoxy)propanamide
CID 137366054
N-(trifluoromethoxy)acetamide
CID 145063070
3,3,3-trifluoro-N-methoxypropanamide
CID 60731334
4,4,4-trifluoro-N-hydroxybutanamide
CID 65712172
2,2-difluoro-N-hydroxypropanamide
CID 130495228

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-hydroxypropanamide?
The IUPAC name of 3,3,3-trifluoro-N-hydroxypropanamide (CID 24695716) is 3,3,3-trifluoro-N-hydroxypropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-hydroxypropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-hydroxypropanamide is O=C(CC(F)(F)F)NO.
What is the InChIKey of 3,3,3-trifluoro-N-hydroxypropanamide?
The InChIKey is DYJMFJHBHRYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c4-3(5,6)1-2(8)7-9/h9H,1H2,(H,7,8).
What are the key properties of 3,3,3-trifluoro-N-hydroxypropanamide?
3,3,3-trifluoro-N-hydroxypropanamide has a molecular weight of 143.06 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-hydroxypropanamide is sourced from PubChem (CID 24695716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).