N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide

C7H12F2N2O2 — CID 127000369

IUPACN'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide
SMILESCC(=O)NNC(=O)C(C)(C)C(F)F
InChIInChI=1S/C7H12F2N2O2/c1-4(12)10-11-6(13)7(2,3)5(8)9/h5H,1-3H3,(H,10,12)(H,11,13)
InChIKeyZLHLRXYYTMAXCD-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.44
Rot. Bonds2

About N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide

N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide (PubChem CID 127000369) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide
PubChem CID127000369
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC NameN'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide
SMILESCC(=O)NNC(=O)C(C)(C)C(F)F
InChIInChI=1S/C7H12F2N2O2/c1-4(12)10-11-6(13)7(2,3)5(8)9/h5H,1-3H3,(H,10,12)(H,11,13)
InChIKeyZLHLRXYYTMAXCD-UHFFFAOYSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide (CID 127000369) is N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide is CC(=O)NNC(=O)C(C)(C)C(F)F.
What is the InChIKey of N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide?
The InChIKey is ZLHLRXYYTMAXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-4(12)10-11-6(13)7(2,3)5(8)9/h5H,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide?
N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide has a molecular weight of 194.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3,3-difluoro-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 127000369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).