4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide

C11H10F5N3O — CID 146437908

IUPAC4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CC(F)(F)C2)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F5N3O/c12-10(13)4-19(5-10)8-2-1-6(9(20)18-17)3-7(8)11(14,15)16/h1-3H,4-5,17H2,(H,18,20)
InChIKeyYDDGMRMZNZQRHU-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.76
Rot. Bonds2

About 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide

4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 146437908) has the molecular formula C11H10F5N3O and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide
PubChem CID146437908
Molecular FormulaC11H10F5N3O
Molecular Weight295.21 g/mol
Exact Mass295.07
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CC(F)(F)C2)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F5N3O/c12-10(13)4-19(5-10)8-2-1-6(9(20)18-17)3-7(8)11(14,15)16/h1-3H,4-5,17H2,(H,18,20)
InChIKeyYDDGMRMZNZQRHU-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
4-[4-(3,3-difluoropyrrolidin-1-yl)-3-(trifluoromethyl)phenyl]-4-oxobutanoic acid
CID 137473774
4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzoyl chloride
CID 154686719
4-[4-ethoxycarbonyl-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 151465294
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-(2,2,3-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 130277544
1-[4-chloro-2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
CID 143237066
ethane;naphthalene-2-carbohydrazide
CID 91601372
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide (CID 146437908) is 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide is NNC(=O)c1ccc(N2CC(F)(F)C2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is YDDGMRMZNZQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5N3O/c12-10(13)4-19(5-10)8-2-1-6(9(20)18-17)3-7(8)11(14,15)16/h1-3H,4-5,17H2,(H,18,20).
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide?
4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide has a molecular weight of 295.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 146437908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).