3-(trifluoromethyl)benzohydrazide

C8H7F3N2O — CID 2777417

IUPAC3-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H,12H2,(H,13,14)
InChIKeyHGUSYNBASYGAMC-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.31
Rot. Bonds1

About 3-(trifluoromethyl)benzohydrazide

3-(trifluoromethyl)benzohydrazide (PubChem CID 2777417) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name3-(trifluoromethyl)benzohydrazide
PubChem CID2777417
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name3-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H,12H2,(H,13,14)
InChIKeyHGUSYNBASYGAMC-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 3-(trifluoromethyl)benzohydrazide (CID 2777417) is 3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 3-(trifluoromethyl)benzohydrazide is NNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)benzohydrazide?
The InChIKey is HGUSYNBASYGAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H,12H2,(H,13,14).
What are the key properties of 3-(trifluoromethyl)benzohydrazide?
3-(trifluoromethyl)benzohydrazide has a molecular weight of 204.15 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 2777417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).