[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine

C8H6F3N3O — CID 115059690

IUPAC[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
SMILESNNc1nc2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)4-2-1-3-5-6(4)13-7(14-12)15-5/h1-3H,12H2,(H,13,14)
InChIKeyRYLIKTXAFGEKKE-UHFFFAOYSA-N
MW217.15 g/mol
LogP2.13
Rot. Bonds1

About [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine

[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine (PubChem CID 115059690) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
PubChem CID115059690
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
SMILESNNc1nc2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)4-2-1-3-5-6(4)13-7(14-12)15-5/h1-3H,12H2,(H,13,14)
InChIKeyRYLIKTXAFGEKKE-UHFFFAOYSA-N
XLogP2.13
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 52.13
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

2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
CID 130953338
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536
2-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzoxazole-2,4-diamine
CID 106289807
[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059537
4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 13278515
[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 84820116
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
2-hydrazinyl-3-(trifluoromethyl)phenol
CID 131057734
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
CID 12073570
[2-iodo-6-(trifluoromethyl)phenyl]hydrazine
CID 118824550
1-[(4-amino-1,3-benzoxazol-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 79893328

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
The IUPAC name of [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine (CID 115059690) is [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine.
What is the SMILES notation for [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
The canonical SMILES for [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine is NNc1nc2c(C(F)(F)F)cccc2o1.
What is the InChIKey of [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
The InChIKey is RYLIKTXAFGEKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c9-8(10,11)4-2-1-3-5-6(4)13-7(14-12)15-5/h1-3H,12H2,(H,13,14).
What are the key properties of [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine?
[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine has a molecular weight of 217.15 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine is sourced from PubChem (CID 115059690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).