ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate

C10H11F3N2O3 — CID 134640978

IUPACethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(NN)ccc1OC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-2-17-9(16)7-5-6(15-14)3-4-8(7)18-10(11,12)13/h3-5,15H,2,14H2,1H3
InChIKeyPPPKMJCLNSUIGF-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.05
Rot. Bonds4

About ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate

ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate (PubChem CID 134640978) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
PubChem CID134640978
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Nameethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(NN)ccc1OC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-2-17-9(16)7-5-6(15-14)3-4-8(7)18-10(11,12)13/h3-5,15H,2,14H2,1H3
InChIKeyPPPKMJCLNSUIGF-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethyl 5-hydrazinyl-2-iodobenzoate
CID 130775053
ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate
CID 151740078
ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate
CID 134642092
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
ethyl 4-hydrazinyl-2-sulfamoylbenzoate
CID 14837219
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 4-(bromomethyl)-5-cyano-2-(trifluoromethoxy)benzoate
CID 134650767
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
ethyl 2-cyano-3-fluoro-4-(trifluoromethoxy)benzoate
CID 134641655
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate (CID 134640978) is ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate is CCOC(=O)c1cc(NN)ccc1OC(F)(F)F.
What is the InChIKey of ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate?
The InChIKey is PPPKMJCLNSUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-2-17-9(16)7-5-6(15-14)3-4-8(7)18-10(11,12)13/h3-5,15H,2,14H2,1H3.
What are the key properties of ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate?
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate has a molecular weight of 264.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate is sourced from PubChem (CID 134640978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).