2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C16H10ClF7N2O2 — CID 135716080

IUPAC2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1O
InChIInChI=1S/C16H10ClF7N2O2/c1-2-28-8-4-6(3-7(17)15(8)27)5-25-26-14-12(20)10(18)9(16(22,23)24)11(19)13(14)21/h3-5,26-27H,2H2,1H3/b25-5+
InChIKeyZSUHLNNMMGSEKE-VVAXDPKNSA-N
MW430.71 g/mol
LogP5.47
Rot. Bonds5

About 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 135716080) has the molecular formula C16H10ClF7N2O2 and a molecular weight of 430.71 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID135716080
Molecular FormulaC16H10ClF7N2O2
Molecular Weight430.71 g/mol
Exact Mass430.03
IUPAC Name2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1O
InChIInChI=1S/C16H10ClF7N2O2/c1-2-28-8-4-6(3-7(17)15(8)27)5-25-26-14-12(20)10(18)9(16(22,23)24)11(19)13(14)21/h3-5,26-27H,2H2,1H3/b25-5+
InChIKeyZSUHLNNMMGSEKE-VVAXDPKNSA-N
XLogP5.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[[(3-chlorophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 136704630
2-ethoxy-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4012909
[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 4542145
tert-butyl N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 136831624
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789438
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 5004761
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 137079049
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 6245798
2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol
CID 135613721
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240
2-chloro-6-methoxy-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137065454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 135716080) is 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is ZSUHLNNMMGSEKE-VVAXDPKNSA-N. The full InChI is InChI=1S/C16H10ClF7N2O2/c1-2-28-8-4-6(3-7(17)15(8)27)5-25-26-14-12(20)10(18)9(16(22,23)24)11(19)13(14)21/h3-5,26-27H,2H2,1H3/b25-5+.
What are the key properties of 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 430.71 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135716080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).