2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide

C4H5F3N2O3 — CID 130874974

IUPAC2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide
SMILESO=C(CO)NNC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3N2O3/c5-4(6,7)3(12)9-8-2(11)1-10/h10H,1H2,(H,8,11)(H,9,12)
InChIKeyPFBKJFHIBDKQSA-UHFFFAOYSA-N
MW186.09 g/mol
LogP-1.31
Rot. Bonds1

About 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide

2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide (PubChem CID 130874974) has the molecular formula C4H5F3N2O3 and a molecular weight of 186.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide
PubChem CID130874974
Molecular FormulaC4H5F3N2O3
Molecular Weight186.09 g/mol
Exact Mass186.03
IUPAC Name2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide
SMILESO=C(CO)NNC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3N2O3/c5-4(6,7)3(12)9-8-2(11)1-10/h10H,1H2,(H,8,11)(H,9,12)
InChIKeyPFBKJFHIBDKQSA-UHFFFAOYSA-N
XLogP-1.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyacetohydrazide
CID 350536
3,3,3-Trifluoro-2-hydroxypropanehydrazide
CID 45119106
(2S)-3,3,3-trifluoro-2-hydroxypropanehydrazide
CID 93511826
(R)-3,3,3-Trifluoro-2-hydroxypropanehydrazide
CID 93511827
2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide
CID 130620295
2-hydroxy-N'-(2-hydroxyacetyl)acetohydrazide
CID 18431844
N'-acetyl-2-hydroxyacetohydrazide
CID 43558797
N',2-dihydroxyacetohydrazide
CID 87074117
Azane;2-hydroxyacetohydrazide
CID 157959951
Sodium;hydride;2-hydroxyacetohydrazide
CID 174556411

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide (CID 130874974) is 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide is O=C(CO)NNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide?
The InChIKey is PFBKJFHIBDKQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2O3/c5-4(6,7)3(12)9-8-2(11)1-10/h10H,1H2,(H,8,11)(H,9,12).
What are the key properties of 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide?
2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide has a molecular weight of 186.09 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-(2-hydroxyacetyl)acetohydrazide is sourced from PubChem (CID 130874974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).