(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate

C17H19F7N3OPS — CID 166992279

IUPAC(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate
SMILESC=C/C(=N\N=C(/CC)OCC(F)(P)C(F)(F)F)c1ncc(C(F)(F)F)cc1SCC
InChIInChI=1S/C17H19F7N3OPS/c1-4-11(14-12(30-6-3)7-10(8-25-14)16(19,20)21)26-27-13(5-2)28-9-15(18,29)17(22,23)24/h4,7-8H,1,5-6,9,29H2,2-3H3/b26-11+,27-13+
InChIKeyGIQGLOIXDDGRCM-XHEBYFAPSA-N
MW477.39 g/mol
LogP6.03
Rot. Bonds8

About (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate

(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate (PubChem CID 166992279) has the molecular formula C17H19F7N3OPS and a molecular weight of 477.39 g/mol. Its IUPAC name is (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate.

Molecular Properties

Compound Name(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate
PubChem CID166992279
Molecular FormulaC17H19F7N3OPS
Molecular Weight477.39 g/mol
Exact Mass477.09
IUPAC Name(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate
SMILESC=C/C(=N\N=C(/CC)OCC(F)(P)C(F)(F)F)c1ncc(C(F)(F)F)cc1SCC
InChIInChI=1S/C17H19F7N3OPS/c1-4-11(14-12(30-6-3)7-10(8-25-14)16(19,20)21)26-27-13(5-2)28-9-15(18,29)17(22,23)24/h4,7-8H,1,5-6,9,29H2,2-3H3/b26-11+,27-13+
InChIKeyGIQGLOIXDDGRCM-XHEBYFAPSA-N
XLogP6.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
CID 118392765
3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134524965
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461260
ethyl 3-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133096652
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 150785673
2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 13317020
ethyl 3-(2-oxoethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461725
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
ethyl 2-ethylsulfanyl-4-(trifluoromethyl)benzoate
CID 91876377

Frequently Asked Questions

What is the IUPAC name of (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate?
The IUPAC name of (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate (CID 166992279) is (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate.
What is the SMILES notation for (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate?
The canonical SMILES for (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate is C=C/C(=N\N=C(/CC)OCC(F)(P)C(F)(F)F)c1ncc(C(F)(F)F)cc1SCC.
What is the InChIKey of (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate?
The InChIKey is GIQGLOIXDDGRCM-XHEBYFAPSA-N. The full InChI is InChI=1S/C17H19F7N3OPS/c1-4-11(14-12(30-6-3)7-10(8-25-14)16(19,20)21)26-27-13(5-2)28-9-15(18,29)17(22,23)24/h4,7-8H,1,5-6,9,29H2,2-3H3/b26-11+,27-13+.
What are the key properties of (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate?
(2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate has a molecular weight of 477.39 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3,3-tetrafluoro-2-phosphanylpropyl) (NE,1E)-N-[1-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]prop-2-enylidene]propanehydrazonate is sourced from PubChem (CID 166992279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).