benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride

C19H22Cl3F3N2O3 — CID 173295061

IUPACbenzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cl.O=C(Cl)c1ccc(OC(F)(F)F)cc1.O=C(Cl)c1ccccc1
InChIInChI=1S/C8H4ClF3O2.C7H5ClO.C4H12N2.ClH/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-4H;1-5H;6H,5H2,1-3H3;1H
InChIKeyKDUBOEQNTYYRFG-UHFFFAOYSA-N
MW489.75 g/mol
LogP5.70
Rot. Bonds3

About benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride

benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride (PubChem CID 173295061) has the molecular formula C19H22Cl3F3N2O3 and a molecular weight of 489.75 g/mol. Its IUPAC name is benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
PubChem CID173295061
Molecular FormulaC19H22Cl3F3N2O3
Molecular Weight489.75 g/mol
Exact Mass488.06
IUPAC Namebenzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
SMILESCC(C)(C)NN.Cl.O=C(Cl)c1ccc(OC(F)(F)F)cc1.O=C(Cl)c1ccccc1
InChIInChI=1S/C8H4ClF3O2.C7H5ClO.C4H12N2.ClH/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-4H;1-5H;6H,5H2,1-3H3;1H
InChIKeyKDUBOEQNTYYRFG-UHFFFAOYSA-N
XLogP5.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.75
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
CID 173294727
benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
CID 173294666
benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
benzoyl chloride;tert-butylhydrazine;4-chloro-2-methylbenzoyl chloride;hydrochloride
CID 173294769
CID 175394563
CID 175394563
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 70481934
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzoyl chloride;hydrazine
CID 19933227

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride?
The IUPAC name of benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride (CID 173295061) is benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride.
What is the SMILES notation for benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride?
The canonical SMILES for benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride is CC(C)(C)NN.Cl.O=C(Cl)c1ccc(OC(F)(F)F)cc1.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride?
The InChIKey is KDUBOEQNTYYRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2.C7H5ClO.C4H12N2.ClH/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12;8-7(9)6-4-2-1-3-5-6;1-4(2,3)6-5;/h1-4H;1-5H;6H,5H2,1-3H3;1H.
What are the key properties of benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride?
benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride has a molecular weight of 489.75 g/mol, XLogP of 5.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride is sourced from PubChem (CID 173295061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).