N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide

C14H11F7N2O2 — CID 6183238

IUPACN'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
SMILESC/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1
InChIInChI=1S/C14H11F7N2O2/c1-8(22-23-11(25)9-5-3-2-4-6-9)7-10(24)12(15,16)13(17,18)14(19,20)21/h2-7,22H,1H3,(H,23,25)/b8-7-
InChIKeyCBPLYQHOYNDADX-FPLPWBNLSA-N
MW372.24 g/mol
LogP3.23
Rot. Bonds6

About N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide

N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide (PubChem CID 6183238) has the molecular formula C14H11F7N2O2 and a molecular weight of 372.24 g/mol. Its IUPAC name is N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
PubChem CID6183238
Molecular FormulaC14H11F7N2O2
Molecular Weight372.24 g/mol
Exact Mass372.07
IUPAC NameN'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
SMILESC/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1
InChIInChI=1S/C14H11F7N2O2/c1-8(22-23-11(25)9-5-3-2-4-6-9)7-10(24)12(15,16)13(17,18)14(19,20)21/h2-7,22H,1H3,(H,23,25)/b8-7-
InChIKeyCBPLYQHOYNDADX-FPLPWBNLSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide
CID 5369919
N'-(5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl)-3-methoxybenzohydrazide
CID 3101252
4-chloro-N'-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-oxodec-2-en-2-yl]benzohydrazide
CID 5372540
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide
CID 126369506
N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
CID 6386891
4-chloro-N'-(5,5-dimethyl-4-oxohex-2-en-2-yl)benzohydrazide
CID 4525468
4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 3796469
N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide
CID 569628
2,2,3,3,4,4,4-heptafluoro-N-(3-oxo-1,3-diphenylprop-1-enyl)butanamide
CID 628724
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
N'-(4-oxopent-2-en-2-yl)benzenecarbothiohydrazide
CID 3076942
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide?
The IUPAC name of N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide (CID 6183238) is N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide.
What is the SMILES notation for N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide?
The canonical SMILES for N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide is C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide?
The InChIKey is CBPLYQHOYNDADX-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H11F7N2O2/c1-8(22-23-11(25)9-5-3-2-4-6-9)7-10(24)12(15,16)13(17,18)14(19,20)21/h2-7,22H,1H3,(H,23,25)/b8-7-.
What are the key properties of N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide?
N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide has a molecular weight of 372.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide is sourced from PubChem (CID 6183238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).