benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride

C19H22Cl3F3N2O2 — CID 173294666

IUPACbenzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
SMILESCC(C)(C)NNC(F)(F)F.Cl.O=C(Cl)c1ccccc1.O=C(Cl)c1ccccc1
InChIInChI=1S/2C7H5ClO.C5H11F3N2.ClH/c2*8-7(9)6-4-2-1-3-5-6;1-4(2,3)9-10-5(6,7)8;/h2*1-5H;9-10H,1-3H3;1H
InChIKeyKBICREAMGBVVMO-UHFFFAOYSA-N
MW473.75 g/mol
LogP5.95
Rot. Bonds3

About benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride

benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride (PubChem CID 173294666) has the molecular formula C19H22Cl3F3N2O2 and a molecular weight of 473.75 g/mol. Its IUPAC name is benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride.

Molecular Properties

Compound Namebenzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
PubChem CID173294666
Molecular FormulaC19H22Cl3F3N2O2
Molecular Weight473.75 g/mol
Exact Mass472.07
IUPAC Namebenzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride
SMILESCC(C)(C)NNC(F)(F)F.Cl.O=C(Cl)c1ccccc1.O=C(Cl)c1ccccc1
InChIInChI=1S/2C7H5ClO.C5H11F3N2.ClH/c2*8-7(9)6-4-2-1-3-5-6;1-4(2,3)9-10-5(6,7)8;/h2*1-5H;9-10H,1-3H3;1H
InChIKeyKBICREAMGBVVMO-UHFFFAOYSA-N
XLogP5.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzoyl chloride;4-tert-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294057
benzoyl chloride;tert-butylhydrazine;4-(trifluoromethoxy)benzoyl chloride;hydrochloride
CID 173295061
benzoic acid;benzoyl chloride
CID 87427055
benzoyl chloride;selane
CID 174449470
benzoyl chloride;dimethyltin
CID 174591343
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
benzoyl chloride;hydrazine
CID 19933227
benzoyl chloride;tert-butylhydrazine;3-iodobenzoyl chloride;hydrochloride
CID 173294110
benzoyl chloride;tert-butylhydrazine;N,N-diethylcarbamoyl chloride;hydrochloride
CID 173294727
benzoyl chloride;chromium;formaldehyde
CID 173282114
benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
benzoyl chloride;4-butylbenzoyl chloride;tert-butylhydrazine;hydrochloride
CID 173294591

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride?
The IUPAC name of benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride (CID 173294666) is benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride.
What is the SMILES notation for benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride?
The canonical SMILES for benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride is CC(C)(C)NNC(F)(F)F.Cl.O=C(Cl)c1ccccc1.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride?
The InChIKey is KBICREAMGBVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5ClO.C5H11F3N2.ClH/c2*8-7(9)6-4-2-1-3-5-6;1-4(2,3)9-10-5(6,7)8;/h2*1-5H;9-10H,1-3H3;1H.
What are the key properties of benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride?
benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride has a molecular weight of 473.75 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;1-tert-butyl-2-(trifluoromethyl)hydrazine;hydrochloride is sourced from PubChem (CID 173294666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).