2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide

C7H14F2N2O2S — CID 165467276

IUPAC2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
SMILESCC(CCO)SCC(F)(F)C(=O)NN
InChIInChI=1S/C7H14F2N2O2S/c1-5(2-3-12)14-4-7(8,9)6(13)11-10/h5,12H,2-4,10H2,1H3,(H,11,13)
InChIKeyYPZUHDHPVHFKBA-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.12
Rot. Bonds6

About 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide

2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide (PubChem CID 165467276) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
PubChem CID165467276
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
SMILESCC(CCO)SCC(F)(F)C(=O)NN
InChIInChI=1S/C7H14F2N2O2S/c1-5(2-3-12)14-4-7(8,9)6(13)11-10/h5,12H,2-4,10H2,1H3,(H,11,13)
InChIKeyYPZUHDHPVHFKBA-UHFFFAOYSA-N
XLogP0.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.12
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

3-(3-aminobutylsulfanyl)-2,2-difluoropropanehydrazide
CID 165467274
3-(2,2,2-trifluoroethylsulfanyl)butan-1-ol
CID 66137504
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanamide
CID 66135959
2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide
CID 165467492
N-tert-butyl-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66136137
3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide
CID 79631659
methyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 66136846
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 66138872
ethyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 66137754
(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 165347808
2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 65418587
1-(4-hydroxybutan-2-ylsulfanyl)-2-methylbutan-2-ol
CID 114495244

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide?
The IUPAC name of 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide (CID 165467276) is 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide?
The canonical SMILES for 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide is CC(CCO)SCC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide?
The InChIKey is YPZUHDHPVHFKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-5(2-3-12)14-4-7(8,9)6(13)11-10/h5,12H,2-4,10H2,1H3,(H,11,13).
What are the key properties of 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide?
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide has a molecular weight of 228.26 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 165467276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).