2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide

C6H7F7N2O — CID 2189505

IUPAC2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide
SMILESCN(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7N2O/c1-15(2)14-3(16)4(7,8)5(9,10)6(11,12)13/h1-2H3,(H,14,16)
InChIKeyVWXQGGUQHQYIOI-UHFFFAOYSA-N
MW256.12 g/mol
LogP1.41
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide

2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide (PubChem CID 2189505) has the molecular formula C6H7F7N2O and a molecular weight of 256.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide
PubChem CID2189505
Molecular FormulaC6H7F7N2O
Molecular Weight256.12 g/mol
Exact Mass256.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide
SMILESCN(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7N2O/c1-15(2)14-3(16)4(7,8)5(9,10)6(11,12)13/h1-2H3,(H,14,16)
InChIKeyVWXQGGUQHQYIOI-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide (CID 2189505) is 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide is CN(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide?
The InChIKey is VWXQGGUQHQYIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7N2O/c1-15(2)14-3(16)4(7,8)5(9,10)6(11,12)13/h1-2H3,(H,14,16).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide?
2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide has a molecular weight of 256.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N',N'-dimethylbutanehydrazide is sourced from PubChem (CID 2189505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).