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

C10H7F7N2O — CID 4073140

IUPAC2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide
SMILESO=C(NNc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F7N2O/c11-8(12,9(13,14)10(15,16)17)7(20)19-18-6-4-2-1-3-5-6/h1-5,18H,(H,19,20)
InChIKeyCWKOYLVRJVKLFW-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.96
Rot. Bonds4

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

2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide (PubChem CID 4073140) has the molecular formula C10H7F7N2O and a molecular weight of 304.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide
PubChem CID4073140
Molecular FormulaC10H7F7N2O
Molecular Weight304.17 g/mol
Exact Mass304.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide
SMILESO=C(NNc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F7N2O/c11-8(12,9(13,14)10(15,16)17)7(20)19-18-6-4-2-1-3-5-6/h1-5,18H,(H,19,20)
InChIKeyCWKOYLVRJVKLFW-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.96
H-Bond Donors ≤ 52
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'-phenylbutanehydrazide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide (CID 4073140) is 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide is O=C(NNc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide?
The InChIKey is CWKOYLVRJVKLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7N2O/c11-8(12,9(13,14)10(15,16)17)7(20)19-18-6-4-2-1-3-5-6/h1-5,18H,(H,19,20).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide?
2,2,3,3,4,4,4-heptafluoro-N'-phenylbutanehydrazide has a molecular weight of 304.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 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'-phenylbutanehydrazide is sourced from PubChem (CID 4073140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).