[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine

C8H5BrF3N3O — CID 82233963

IUPAC[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
SMILESNNc1nc2cc(C(F)(F)F)cc(Br)c2o1
InChIInChI=1S/C8H5BrF3N3O/c9-4-1-3(8(10,11)12)2-5-6(4)16-7(14-5)15-13/h1-2H,13H2,(H,14,15)
InChIKeyWOYCHHXUUGLBKO-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.89
Rot. Bonds1

About [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine

[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine (PubChem CID 82233963) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine.

Molecular Properties

Compound Name[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
PubChem CID82233963
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
SMILESNNc1nc2cc(C(F)(F)F)cc(Br)c2o1
InChIInChI=1S/C8H5BrF3N3O/c9-4-1-3(8(10,11)12)2-5-6(4)16-7(14-5)15-13/h1-2H,13H2,(H,14,15)
InChIKeyWOYCHHXUUGLBKO-UHFFFAOYSA-N
XLogP2.89
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-(trifluoromethyl)-1-benzofuran
CID 22144871
3-[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 146192157
N-[(1S)-1-[2-(5-bromo-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethyl]-7-chloro-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 155221558
7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 82233441
(5,7-dimethoxy-1,3-benzoxazol-2-yl)hydrazine
CID 139991158
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
CID 82232029
5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline
CID 2799149
2-(7-bromo-1,3-benzoxazol-2-yl)-5-(trifluoromethyl)aniline
CID 81494729
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
CID 144858961
[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
CID 115059690
2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-1,3-benzoxazole
CID 23025660

Frequently Asked Questions

What is the IUPAC name of [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
The IUPAC name of [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine (CID 82233963) is [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine.
What is the SMILES notation for [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
The canonical SMILES for [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine is NNc1nc2cc(C(F)(F)F)cc(Br)c2o1.
What is the InChIKey of [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
The InChIKey is WOYCHHXUUGLBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-4-1-3(8(10,11)12)2-5-6(4)16-7(14-5)15-13/h1-2H,13H2,(H,14,15).
What are the key properties of [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
[7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine has a molecular weight of 296.05 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bromo-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine is sourced from PubChem (CID 82233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).