2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol

C15H13F3N2O2 — CID 169383696

IUPAC2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
SMILESOc1cc(OCC(F)(F)F)ccc1C=NNc1ccccc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)10-22-13-7-6-11(14(21)8-13)9-19-20-12-4-2-1-3-5-12/h1-9,20-21H,10H2
InChIKeyVEZQZONTCZXLCS-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.78
Rot. Bonds5

About 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol

2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol (PubChem CID 169383696) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol.

Molecular Properties

Compound Name2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
PubChem CID169383696
Molecular FormulaC15H13F3N2O2
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
SMILESOc1cc(OCC(F)(F)F)ccc1C=NNc1ccccc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)10-22-13-7-6-11(14(21)8-13)9-19-20-12-4-2-1-3-5-12/h1-9,20-21H,10H2
InChIKeyVEZQZONTCZXLCS-UHFFFAOYSA-N
XLogP3.78
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 168578044
2-[(Z)-(phenylhydrazinylidene)methyl]-5-propan-2-yloxyphenol
CID 137068734
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077
(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine
CID 23035301
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
1-[(E)-(2-hydroxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
CID 139086277
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
CID 4662927
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104

Frequently Asked Questions

What is the IUPAC name of 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol?
The IUPAC name of 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol (CID 169383696) is 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol.
What is the SMILES notation for 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol?
The canonical SMILES for 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol is Oc1cc(OCC(F)(F)F)ccc1C=NNc1ccccc1.
What is the InChIKey of 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol?
The InChIKey is VEZQZONTCZXLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)10-22-13-7-6-11(14(21)8-13)9-19-20-12-4-2-1-3-5-12/h1-9,20-21H,10H2.
What are the key properties of 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol?
2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol has a molecular weight of 310.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol is sourced from PubChem (CID 169383696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).