(4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol

C10H8Cl4F8N2O2 — CID 98559766

IUPAC(4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
SMILESOC(C/C=N\N=C\CC(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C10H8Cl4F8N2O2/c11-7(15,16)5(25,8(12,17)18)1-3-23-24-4-2-6(26,9(13,19)20)10(14,21)22/h3-4,25-26H,1-2H2/b23-3-,24-4+
InChIKeyWZVCDNUTHWTVSU-IZLNRACGSA-N
MW481.98 g/mol
LogP4.61
Rot. Bonds9

About (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol

(4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol (PubChem CID 98559766) has the molecular formula C10H8Cl4F8N2O2 and a molecular weight of 481.98 g/mol. Its IUPAC name is (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol.

Molecular Properties

Compound Name(4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
PubChem CID98559766
Molecular FormulaC10H8Cl4F8N2O2
Molecular Weight481.98 g/mol
Exact Mass479.92
IUPAC Name(4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
SMILESOC(C/C=N\N=C\CC(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C10H8Cl4F8N2O2/c11-7(15,16)5(25,8(12,17)18)1-3-23-24-4-2-6(26,9(13,19)20)10(14,21)22/h3-4,25-26H,1-2H2/b23-3-,24-4+
InChIKeyWZVCDNUTHWTVSU-IZLNRACGSA-N
XLogP4.61
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
The IUPAC name of (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol (CID 98559766) is (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol.
What is the SMILES notation for (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
The canonical SMILES for (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol is OC(C/C=N\N=C\CC(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
The InChIKey is WZVCDNUTHWTVSU-IZLNRACGSA-N. The full InChI is InChI=1S/C10H8Cl4F8N2O2/c11-7(15,16)5(25,8(12,17)18)1-3-23-24-4-2-6(26,9(13,19)20)10(14,21)22/h3-4,25-26H,1-2H2/b23-3-,24-4+.
What are the key properties of (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
(4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol has a molecular weight of 481.98 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-chloro-4-[(Z)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol is sourced from PubChem (CID 98559766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).