N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide

C8H6BrF3N2O — CID 817878

IUPACN'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C8H6BrF3N2O/c9-5-1-3-6(4-2-5)13-14-7(15)8(10,11)12/h1-4,13H,(H,14,15)
InChIKeyUEOGUYLGLGKYBX-UHFFFAOYSA-N
MW283.05 g/mol
LogP2.45
Rot. Bonds2

About N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide

N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 817878) has the molecular formula C8H6BrF3N2O and a molecular weight of 283.05 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide
PubChem CID817878
Molecular FormulaC8H6BrF3N2O
Molecular Weight283.05 g/mol
Exact Mass281.96
IUPAC NameN'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C8H6BrF3N2O/c9-5-1-3-6(4-2-5)13-14-7(15)8(10,11)12/h1-4,13H,(H,14,15)
InChIKeyUEOGUYLGLGKYBX-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N'-phenylacetohydrazide
CID 36669
4-Bromophenylhydrazine
CID 12158
N-(4-Bromophenyl)propanehydrazonic acid
CID 769159
1-[(4-bromophenyl)amino]-1H-pyrrole-2,5-dione
CID 781246
2,2,3,3,4,4,4-Heptafluoro-N'-phenylbutanehydrazide
CID 4073140
2-Fluoroacetic acid 2-phenylhydrazide
CID 16862
Isovaleric acid, 2-(p-bromophenyl)hydrazide
CID 53021
(4-Bromo-2-fluorophenyl)hydrazine hydrochloride
CID 17389545
(4-Bromo-2-fluorophenyl)hydrazine
CID 609902
Acetic acid 2-(4-bromophenyl)hydrazide
CID 615522
N-(4-Bromophenyl)butanehydrazonic acid
CID 53020
N-(4-Bromophenyl)pentanehydrazonic acid
CID 3057959

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide (CID 817878) is N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide is O=C(NNc1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is UEOGUYLGLGKYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O/c9-5-1-3-6(4-2-5)13-14-7(15)8(10,11)12/h1-4,13H,(H,14,15).
What are the key properties of N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide?
N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 283.05 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 817878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).