3,3,3-trifluoro-2-hydroxypropanehydrazide

C3H5F3N2O2 — CID 45119106

IUPAC3,3,3-trifluoro-2-hydroxypropanehydrazide
SMILESNNC(=O)C(O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O2/c4-3(5,6)1(9)2(10)8-7/h1,9H,7H2,(H,8,10)
InChIKeyCNYWWVSGEINFOS-UHFFFAOYSA-N
MW158.08 g/mol
LogP-1.10
Rot. Bonds1

About 3,3,3-trifluoro-2-hydroxypropanehydrazide

3,3,3-trifluoro-2-hydroxypropanehydrazide (PubChem CID 45119106) has the molecular formula C3H5F3N2O2 and a molecular weight of 158.08 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxypropanehydrazide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxypropanehydrazide
PubChem CID45119106
Molecular FormulaC3H5F3N2O2
Molecular Weight158.08 g/mol
Exact Mass158.03
IUPAC Name3,3,3-trifluoro-2-hydroxypropanehydrazide
SMILESNNC(=O)C(O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O2/c4-3(5,6)1(9)2(10)8-7/h1,9H,7H2,(H,8,10)
InChIKeyCNYWWVSGEINFOS-UHFFFAOYSA-N
XLogP-1.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.08
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxypropanehydrazide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxypropanehydrazide (CID 45119106) is 3,3,3-trifluoro-2-hydroxypropanehydrazide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxypropanehydrazide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxypropanehydrazide is NNC(=O)C(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxypropanehydrazide?
The InChIKey is CNYWWVSGEINFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2O2/c4-3(5,6)1(9)2(10)8-7/h1,9H,7H2,(H,8,10).
What are the key properties of 3,3,3-trifluoro-2-hydroxypropanehydrazide?
3,3,3-trifluoro-2-hydroxypropanehydrazide has a molecular weight of 158.08 g/mol, XLogP of -1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxypropanehydrazide is sourced from PubChem (CID 45119106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).