N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride

C14H10ClF3N2 — CID 86046826

IUPACN-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
SMILESFC(F)(F)c1ccc(C(Cl)=NNc2ccccc2)cc1
InChIInChI=1S/C14H10ClF3N2/c15-13(20-19-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16,17)18/h1-9,19H
InChIKeyVGRSRCHRQRKUDJ-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.72
Rot. Bonds3

About N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride

N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride (PubChem CID 86046826) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
PubChem CID86046826
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC NameN-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
SMILESFC(F)(F)c1ccc(C(Cl)=NNc2ccccc2)cc1
InChIInChI=1S/C14H10ClF3N2/c15-13(20-19-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16,17)18/h1-9,19H
InChIKeyVGRSRCHRQRKUDJ-UHFFFAOYSA-N
XLogP4.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 154203611
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589
CID 101352816
CID 101352816
(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
CID 177387067
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
CID 161391832
CID 161391832
N'-anilino-N-(2,6-dimethylpyrimidin-4-yl)imino-4-(trifluoromethyl)benzenecarboximidamide
CID 72512777
1-(4-chlorophenyl)-3-[4-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]urea
CID 3694395
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride (CID 86046826) is N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride is FC(F)(F)c1ccc(C(Cl)=NNc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The InChIKey is VGRSRCHRQRKUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2/c15-13(20-19-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16,17)18/h1-9,19H.
What are the key properties of N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride has a molecular weight of 298.70 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 86046826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).