2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide

C7H8F2N2O2S — CID 86748367

IUPAC2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide
SMILESNNC(=O)C(F)(F)C(O)c1cccs1
InChIInChI=1S/C7H8F2N2O2S/c8-7(9,6(13)11-10)5(12)4-2-1-3-14-4/h1-3,5,12H,10H2,(H,11,13)
InChIKeySOZIAPPMBPHHEG-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.41
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide

2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide (PubChem CID 86748367) has the molecular formula C7H8F2N2O2S and a molecular weight of 222.22 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide
PubChem CID86748367
Molecular FormulaC7H8F2N2O2S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC Name2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide
SMILESNNC(=O)C(F)(F)C(O)c1cccs1
InChIInChI=1S/C7H8F2N2O2S/c8-7(9,6(13)11-10)5(12)4-2-1-3-14-4/h1-3,5,12H,10H2,(H,11,13)
InChIKeySOZIAPPMBPHHEG-UHFFFAOYSA-N
XLogP0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
CID 79135544
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 62677118
europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)
CID 175886210
3,4-dibromo-1,1,1-trifluoro-4-thiophen-2-ylbutan-2-one
CID 24756305
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
2-iodo-2-thiophen-2-ylacetamide
CID 66740112
(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanamide
CID 150817803
ethyl (3S)-3-amino-2,2-difluoro-3-thiophen-2-ylpropanoate
CID 171243650
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide (CID 86748367) is 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide is NNC(=O)C(F)(F)C(O)c1cccs1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide?
The InChIKey is SOZIAPPMBPHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2S/c8-7(9,6(13)11-10)5(12)4-2-1-3-14-4/h1-3,5,12H,10H2,(H,11,13).
What are the key properties of 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide?
2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide has a molecular weight of 222.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide is sourced from PubChem (CID 86748367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).