(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

C16H10F4N2O3 — CID 2086528

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)NNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H10F4N2O3/c17-9-6-10(18)15(20)16(14(9)19)22-21-13(23)4-2-8-1-3-11-12(5-8)25-7-24-11/h1-6,22H,7H2,(H,21,23)/b4-2+
InChIKeyDTFFEIWSQFZDOU-DUXPYHPUSA-N
MW354.26 g/mol
LogP3.13
Rot. Bonds4

About (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (PubChem CID 2086528) has the molecular formula C16H10F4N2O3 and a molecular weight of 354.26 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
PubChem CID2086528
Molecular FormulaC16H10F4N2O3
Molecular Weight354.26 g/mol
Exact Mass354.06
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)NNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H10F4N2O3/c17-9-6-10(18)15(20)16(14(9)19)22-21-13(23)4-2-8-1-3-11-12(5-8)25-7-24-11/h1-6,22H,7H2,(H,21,23)/b4-2+
InChIKeyDTFFEIWSQFZDOU-DUXPYHPUSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (CID 2086528) is (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is O=C(/C=C/c1ccc2c(c1)OCO2)NNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The InChIKey is DTFFEIWSQFZDOU-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H10F4N2O3/c17-9-6-10(18)15(20)16(14(9)19)22-21-13(23)4-2-8-1-3-11-12(5-8)25-7-24-11/h1-6,22H,7H2,(H,21,23)/b4-2+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide has a molecular weight of 354.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 2086528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).