4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H10ClF3N2O — CID 135520656

IUPAC4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3N2O/c15-11-4-5-13(21)9(6-11)8-19-20-12-3-1-2-10(7-12)14(16,17)18/h1-8,20-21H/b19-8+
InChIKeyWNBPCDNTLWHCBL-UFWORHAWSA-N
MW314.69 g/mol
LogP4.51
Rot. Bonds3

About 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 135520656) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID135520656
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3N2O/c15-11-4-5-13(21)9(6-11)8-19-20-12-3-1-2-10(7-12)14(16,17)18/h1-8,20-21H/b19-8+
InChIKeyWNBPCDNTLWHCBL-UFWORHAWSA-N
XLogP4.51
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 135520656) is 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is Oc1ccc(Cl)cc1/C=N/Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is WNBPCDNTLWHCBL-UFWORHAWSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-11-4-5-13(21)9(6-11)8-19-20-12-3-1-2-10(7-12)14(16,17)18/h1-8,20-21H/b19-8+.
What are the key properties of 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 314.69 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).