methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate

C9H9F3N2O2 — CID 170909561

IUPACmethyl 2-hydrazinyl-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1cccc(C(F)(F)F)c1NN
InChIInChI=1S/C9H9F3N2O2/c1-16-8(15)5-3-2-4-6(7(5)14-13)9(10,11)12/h2-4,14H,13H2,1H3
InChIKeyNRJHZCKWLIAPIO-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.78
Rot. Bonds2

About methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate

methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate (PubChem CID 170909561) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydrazinyl-3-(trifluoromethyl)benzoate
PubChem CID170909561
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Namemethyl 2-hydrazinyl-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1cccc(C(F)(F)F)c1NN
InChIInChI=1S/C9H9F3N2O2/c1-16-8(15)5-3-2-4-6(7(5)14-13)9(10,11)12/h2-4,14H,13H2,1H3
InChIKeyNRJHZCKWLIAPIO-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.78
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

methyl 2-(trifluoromethyl)benzoate
CID 2775578
[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid
CID 138620046
2-hydrazinyl-3-(trifluoromethyl)phenol
CID 131057734
methyl 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630678
methyl 2-(1,1,2,2,2-pentafluoroethyl)benzoate
CID 14007750
methyl 2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxycarbonylphenyl)propan-2-yl]benzoate
CID 139743551
2-cyano-3-(trifluoromethyl)benzoic acid;methyl 2-cyano-3-(trifluoromethyl)benzoate
CID 159150897
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
methyl 3-iodo-2-(trifluoromethyl)benzoate
CID 91882314
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
[2-iodo-6-(trifluoromethyl)phenyl]hydrazine
CID 118824550
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate?
The IUPAC name of methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate (CID 170909561) is methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate is COC(=O)c1cccc(C(F)(F)F)c1NN.
What is the InChIKey of methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate?
The InChIKey is NRJHZCKWLIAPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-8(15)5-3-2-4-6(7(5)14-13)9(10,11)12/h2-4,14H,13H2,1H3.
What are the key properties of methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate?
methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate has a molecular weight of 234.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 170909561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).