tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride

C19H24Cl3FN2O2 — CID 173294654

IUPACtert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride
SMILESCC(C)(C)NN.Cc1cccc(C(=O)Cl)c1C(=O)c1ccccc1F.Cl.Cl
InChIInChI=1S/C15H10ClFO2.C4H12N2.2ClH/c1-9-5-4-7-11(15(16)19)13(9)14(18)10-6-2-3-8-12(10)17;1-4(2,3)6-5;;/h2-8H,1H3;6H,5H2,1-3H3;2*1H
InChIKeyZYMNIMNSYZCCKA-UHFFFAOYSA-N
MW437.77 g/mol
LogP4.84
Rot. Bonds3

About tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride

tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride (PubChem CID 173294654) has the molecular formula C19H24Cl3FN2O2 and a molecular weight of 437.77 g/mol. Its IUPAC name is tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride.

Molecular Properties

Compound Nametert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride
PubChem CID173294654
Molecular FormulaC19H24Cl3FN2O2
Molecular Weight437.77 g/mol
Exact Mass436.09
IUPAC Nametert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride
SMILESCC(C)(C)NN.Cc1cccc(C(=O)Cl)c1C(=O)c1ccccc1F.Cl.Cl
InChIInChI=1S/C15H10ClFO2.C4H12N2.2ClH/c1-9-5-4-7-11(15(16)19)13(9)14(18)10-6-2-3-8-12(10)17;1-4(2,3)6-5;;/h2-8H,1H3;6H,5H2,1-3H3;2*1H
InChIKeyZYMNIMNSYZCCKA-UHFFFAOYSA-N
XLogP4.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butylhydrazine;3-methyl-2-(4-propan-2-ylbenzoyl)benzoyl chloride;dihydrochloride
CID 173294793
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
2-fluorobenzoyl chloride;hydrochloride
CID 172728813
2-fluorobenzoyl chloride
CID 9808
benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183

Frequently Asked Questions

What is the IUPAC name of tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride?
The IUPAC name of tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride (CID 173294654) is tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride.
What is the SMILES notation for tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride?
The canonical SMILES for tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride is CC(C)(C)NN.Cc1cccc(C(=O)Cl)c1C(=O)c1ccccc1F.Cl.Cl.
What is the InChIKey of tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride?
The InChIKey is ZYMNIMNSYZCCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2.C4H12N2.2ClH/c1-9-5-4-7-11(15(16)19)13(9)14(18)10-6-2-3-8-12(10)17;1-4(2,3)6-5;;/h2-8H,1H3;6H,5H2,1-3H3;2*1H.
What are the key properties of tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride?
tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride has a molecular weight of 437.77 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylhydrazine;2-(2-fluorobenzoyl)-3-methylbenzoyl chloride;dihydrochloride is sourced from PubChem (CID 173294654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).