2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide

C16H6F10N2O2 — CID 606788

IUPAC2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide
SMILESCN(C)N(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H6F10N2O2/c1-27(2)28(15(29)3-5(17)9(21)13(25)10(22)6(3)18)16(30)4-7(19)11(23)14(26)12(24)8(4)20/h1-2H3
InChIKeyYWYJKKKLWWDVIQ-UHFFFAOYSA-N
MW448.22 g/mol
LogP3.84
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide

2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide (PubChem CID 606788) has the molecular formula C16H6F10N2O2 and a molecular weight of 448.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide
PubChem CID606788
Molecular FormulaC16H6F10N2O2
Molecular Weight448.22 g/mol
Exact Mass448.03
IUPAC Name2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide
SMILESCN(C)N(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H6F10N2O2/c1-27(2)28(15(29)3-5(17)9(21)13(25)10(22)6(3)18)16(30)4-7(19)11(23)14(26)12(24)8(4)20/h1-2H3
InChIKeyYWYJKKKLWWDVIQ-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide (CID 606788) is 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide is CN(C)N(C(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide?
The InChIKey is YWYJKKKLWWDVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F10N2O2/c1-27(2)28(15(29)3-5(17)9(21)13(25)10(22)6(3)18)16(30)4-7(19)11(23)14(26)12(24)8(4)20/h1-2H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide?
2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide has a molecular weight of 448.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide is sourced from PubChem (CID 606788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).