(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate

C15H10F5N3O2 — CID 153376136

IUPAC(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate
SMILESNC=C(NN)c1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H10F5N3O2/c16-9-10(17)12(19)14(13(20)11(9)18)25-15(24)7-3-1-2-6(4-7)8(5-21)23-22/h1-5,23H,21-22H2
InChIKeyDUSITPSTKPQEHC-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.32
Rot. Bonds4

About (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate

(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate (PubChem CID 153376136) has the molecular formula C15H10F5N3O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate
PubChem CID153376136
Molecular FormulaC15H10F5N3O2
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate
SMILESNC=C(NN)c1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H10F5N3O2/c16-9-10(17)12(19)14(13(20)11(9)18)25-15(24)7-3-1-2-6(4-7)8(5-21)23-22/h1-5,23H,21-22H2
InChIKeyDUSITPSTKPQEHC-UHFFFAOYSA-N
XLogP2.32
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3,4,5,6-pentafluorophenoxy)carbonylphenyl]-diphenylsulfanium
CID 171721590
3-[(Z)-2-amino-1-hydrazinylethenyl]phenol
CID 138631273
(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
[4-(hydrazinecarbonyl)-2,6-dimethylphenyl] 3-bromobenzoate
CID 129452144
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
bis(2,3,4,5,6-pentafluorophenyl) pyridine-2,6-dicarboxylate
CID 10553408
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxy-2,3,5,6-tetrafluorophenyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 166171269
CID 70265363
CID 70265363
CID 159558349
CID 159558349
(2,3,4,5,6-pentafluorophenyl) 3-chloro-4-methoxybenzoate
CID 143457170

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate (CID 153376136) is (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate is NC=C(NN)c1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate?
The InChIKey is DUSITPSTKPQEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O2/c16-9-10(17)12(19)14(13(20)11(9)18)25-15(24)7-3-1-2-6(4-7)8(5-21)23-22/h1-5,23H,21-22H2.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate?
(2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate has a molecular weight of 359.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) 3-(2-amino-1-hydrazinylethenyl)benzoate is sourced from PubChem (CID 153376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).