2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H10ClF3N2O — CID 4688997

IUPAC2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1C=NNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF3N2O/c15-11-6-5-10(14(16,17)18)7-12(11)20-19-8-9-3-1-2-4-13(9)21/h1-8,20-21H
InChIKeyPQSGXFCFYBOYKL-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.51
Rot. Bonds3

About 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 4688997) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID4688997
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1C=NNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF3N2O/c15-11-6-5-10(14(16,17)18)7-12(11)20-19-8-9-3-1-2-4-13(9)21/h1-8,20-21H
InChIKeyPQSGXFCFYBOYKL-UHFFFAOYSA-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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Related Compounds

2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 3287632
2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136914398
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
CID 4662927
2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
CID 6015562
2-chloro-N-[(3-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
CID 3532442
2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
CID 3312956
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]thiourea
CID 18281660
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 5086061
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
CID 44537131

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 4688997) is 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is Oc1ccccc1C=NNc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is PQSGXFCFYBOYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-11-6-5-10(14(16,17)18)7-12(11)20-19-8-9-3-1-2-4-13(9)21/h1-8,20-21H.
What are the key properties of 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-[[[2-chloro-5-(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 2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).