4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol

C14H10ClF3N2O2 — CID 135550071

IUPAC4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1
InChIInChI=1S/C14H10ClF3N2O2/c15-11-4-2-9(14(16,17)18)5-12(11)20-19-7-8-1-3-10(21)6-13(8)22/h1-7,20-22H/b19-7+
InChIKeyIJJIEPAZCAVRBY-FBCYGCLPSA-N
MW330.69 g/mol
LogP4.22
Rot. Bonds3

About 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135550071) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135550071
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Name4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1
InChIInChI=1S/C14H10ClF3N2O2/c15-11-4-2-9(14(16,17)18)5-12(11)20-19-7-8-1-3-10(21)6-13(8)22/h1-7,20-22H/b19-7+
InChIKeyIJJIEPAZCAVRBY-FBCYGCLPSA-N
XLogP4.22
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol (CID 135550071) is 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1.
What is the InChIKey of 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is IJJIEPAZCAVRBY-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c15-11-4-2-9(14(16,17)18)5-12(11)20-19-7-8-1-3-10(21)6-13(8)22/h1-7,20-22H/b19-7+.
What are the key properties of 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 330.69 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135550071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).