3-[3-(trifluoromethyl)phenoxy]benzohydrazide

C14H11F3N2O2 — CID 69484751

IUPAC3-[3-(trifluoromethyl)phenoxy]benzohydrazide
SMILESNNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-2-6-12(8-10)21-11-5-1-3-9(7-11)13(20)19-18/h1-8H,18H2,(H,19,20)
InChIKeyZEOSIUFMNVKCGR-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.10
Rot. Bonds3

About 3-[3-(trifluoromethyl)phenoxy]benzohydrazide

3-[3-(trifluoromethyl)phenoxy]benzohydrazide (PubChem CID 69484751) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]benzohydrazide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]benzohydrazide
PubChem CID69484751
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3-[3-(trifluoromethyl)phenoxy]benzohydrazide
SMILESNNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-2-6-12(8-10)21-11-5-1-3-9(7-11)13(20)19-18/h1-8H,18H2,(H,19,20)
InChIKeyZEOSIUFMNVKCGR-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248
2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 166073971
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 27019353
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]benzohydrazide?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]benzohydrazide (CID 69484751) is 3-[3-(trifluoromethyl)phenoxy]benzohydrazide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]benzohydrazide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]benzohydrazide is NNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]benzohydrazide?
The InChIKey is ZEOSIUFMNVKCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-2-6-12(8-10)21-11-5-1-3-9(7-11)13(20)19-18/h1-8H,18H2,(H,19,20).
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]benzohydrazide?
3-[3-(trifluoromethyl)phenoxy]benzohydrazide has a molecular weight of 296.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]benzohydrazide is sourced from PubChem (CID 69484751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).