2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone

C8H7F3N2O — CID 15580662

IUPAC2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
SMILESNNc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(14)5-1-3-6(13-12)4-2-5/h1-4,13H,12H2
InChIKeyPJQFQKAOYFOVLI-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.72
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone

2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone (PubChem CID 15580662) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
PubChem CID15580662
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
SMILESNNc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(14)5-1-3-6(13-12)4-2-5/h1-4,13H,12H2
InChIKeyPJQFQKAOYFOVLI-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydrazinylbenzoic acid;hydron;chloride
CID 90134098
1-methyl-3-[4-(2,2,2-trifluoroacetyl)phenyl]urea
CID 595397
phenylhydrazine;bis(2,2,2-trifluoroacetic acid)
CID 162301576
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
CID 45081112
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
(4-bromophenyl)-(4-hydrazinylphenyl)methanone
CID 141456998
trimethyl-[4-(2,2,2-trifluoroacetyl)phenyl]azanium
CID 58850401
3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide
CID 169482522
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide
CID 171869028
phosphono 4-hydrazinylbenzoate
CID 138619693

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone (CID 15580662) is 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone is NNc1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone?
The InChIKey is PJQFQKAOYFOVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)5-1-3-6(13-12)4-2-5/h1-4,13H,12H2.
What are the key properties of 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone?
2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone has a molecular weight of 204.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone is sourced from PubChem (CID 15580662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).