N'-(4,4,4-trifluorobutanoyl)benzohydrazide

C11H11F3N2O2 — CID 171757992

IUPACN'-(4,4,4-trifluorobutanoyl)benzohydrazide
SMILESO=C(CCC(F)(F)F)NNC(=O)c1ccccc1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-6-9(17)15-16-10(18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)(H,16,18)
InChIKeyRJBYNRQGFKDDIA-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.79
Rot. Bonds3

About N'-(4,4,4-trifluorobutanoyl)benzohydrazide

N'-(4,4,4-trifluorobutanoyl)benzohydrazide (PubChem CID 171757992) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N'-(4,4,4-trifluorobutanoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4,4,4-trifluorobutanoyl)benzohydrazide
PubChem CID171757992
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN'-(4,4,4-trifluorobutanoyl)benzohydrazide
SMILESO=C(CCC(F)(F)F)NNC(=O)c1ccccc1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-6-9(17)15-16-10(18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)(H,16,18)
InChIKeyRJBYNRQGFKDDIA-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.79
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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Related Compounds

4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467

Frequently Asked Questions

What is the IUPAC name of N'-(4,4,4-trifluorobutanoyl)benzohydrazide?
The IUPAC name of N'-(4,4,4-trifluorobutanoyl)benzohydrazide (CID 171757992) is N'-(4,4,4-trifluorobutanoyl)benzohydrazide.
What is the SMILES notation for N'-(4,4,4-trifluorobutanoyl)benzohydrazide?
The canonical SMILES for N'-(4,4,4-trifluorobutanoyl)benzohydrazide is O=C(CCC(F)(F)F)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(4,4,4-trifluorobutanoyl)benzohydrazide?
The InChIKey is RJBYNRQGFKDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-6-9(17)15-16-10(18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)(H,16,18).
What are the key properties of N'-(4,4,4-trifluorobutanoyl)benzohydrazide?
N'-(4,4,4-trifluorobutanoyl)benzohydrazide has a molecular weight of 260.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4,4-trifluorobutanoyl)benzohydrazide is sourced from PubChem (CID 171757992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).