(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone

C16H10F6N2O — CID 11696179

IUPAC(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
SMILESN/N=C(/C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N2O/c17-15(18,19)11-5-1-9(2-6-11)13(24-23)14(25)10-3-7-12(8-4-10)16(20,21)22/h1-8H,23H2/b24-13+
InChIKeyGTOWOSWHKWBLSX-ZMOGYAJESA-N
MW360.26 g/mol
LogP4.27
Rot. Bonds3

About (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone

(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 11696179) has the molecular formula C16H10F6N2O and a molecular weight of 360.26 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
PubChem CID11696179
Molecular FormulaC16H10F6N2O
Molecular Weight360.26 g/mol
Exact Mass360.07
IUPAC Name(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
SMILESN/N=C(/C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N2O/c17-15(18,19)11-5-1-9(2-6-11)13(24-23)14(25)10-3-7-12(8-4-10)16(20,21)22/h1-8H,23H2/b24-13+
InChIKeyGTOWOSWHKWBLSX-ZMOGYAJESA-N
XLogP4.27
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
amino 4-(trifluoromethyl)benzoate
CID 23201930
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
(2E,4E)-2,5-dimethyl-3,4-bis[4-(trifluoromethyl)phenyl]hexa-2,4-dienedioic acid
CID 146396186
acetic acid;4-(trifluoromethyl)benzenecarboximidamide
CID 67344222
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanesulfonic acid
CID 115049943
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
CID 116576679
2,2,2-trideuterio-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102059263
CID 161391832
CID 161391832
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone (CID 11696179) is (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone is N/N=C(/C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is GTOWOSWHKWBLSX-ZMOGYAJESA-N. The full InChI is InChI=1S/C16H10F6N2O/c17-15(18,19)11-5-1-9(2-6-11)13(24-23)14(25)10-3-7-12(8-4-10)16(20,21)22/h1-8H,23H2/b24-13+.
What are the key properties of (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 360.26 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 11696179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).