(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide

C8H6BrF3N2 — CID 12914828

IUPAC(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide
SMILESFC(F)(F)/C(Br)=N/Nc1ccccc1
InChIInChI=1S/C8H6BrF3N2/c9-7(8(10,11)12)14-13-6-4-2-1-3-5-6/h1-5,13H/b14-7-
InChIKeyPDJSUNSCSLRYEW-AUWJEWJLSA-N
MW267.05 g/mol
LogP3.37
Rot. Bonds2

About (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide

(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide (PubChem CID 12914828) has the molecular formula C8H6BrF3N2 and a molecular weight of 267.05 g/mol. Its IUPAC name is (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide.

Molecular Properties

Compound Name(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide
PubChem CID12914828
Molecular FormulaC8H6BrF3N2
Molecular Weight267.05 g/mol
Exact Mass265.97
IUPAC Name(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide
SMILESFC(F)(F)/C(Br)=N/Nc1ccccc1
InChIInChI=1S/C8H6BrF3N2/c9-7(8(10,11)12)14-13-6-4-2-1-3-5-6/h1-5,13H/b14-7-
InChIKeyPDJSUNSCSLRYEW-AUWJEWJLSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.05
LogP ≤ 53.37
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

N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 86021252
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
N-(3,3-dimethylbutan-2-ylideneamino)aniline
CID 85176493
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
methyl (4Z)-5,5,5-trifluoro-4-(phenylhydrazinylidene)pentanoate
CID 72942224
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide
CID 177389050
(1Z)-N-(4-chloro-2-pyridinyl)-2,2,2-trifluoroethanehydrazonoyl bromide
CID 134102990
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
CID 14914436
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide?
The IUPAC name of (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide (CID 12914828) is (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide.
What is the SMILES notation for (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide?
The canonical SMILES for (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide is FC(F)(F)/C(Br)=N/Nc1ccccc1.
What is the InChIKey of (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide?
The InChIKey is PDJSUNSCSLRYEW-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H6BrF3N2/c9-7(8(10,11)12)14-13-6-4-2-1-3-5-6/h1-5,13H/b14-7-.
What are the key properties of (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide?
(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide has a molecular weight of 267.05 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide is sourced from PubChem (CID 12914828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).