4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol

C15H13F3N2O — CID 137289962

IUPAC4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-3-1-2-12(8-13)10-20-19-9-11-4-6-14(21)7-5-11/h1-9,20-21H,10H2/b19-9+
InChIKeyHNTIWALBJZIMKT-DJKKODMXSA-N
MW294.28 g/mol
LogP3.53
Rot. Bonds4

About 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol

4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (PubChem CID 137289962) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
PubChem CID137289962
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-3-1-2-12(8-13)10-20-19-9-11-4-6-14(21)7-5-11/h1-9,20-21H,10H2/b19-9+
InChIKeyHNTIWALBJZIMKT-DJKKODMXSA-N
XLogP3.53
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate
CID 7256534
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
4-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135799228
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 136644816
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 6269141
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-[(2-hydroxyethylhydrazinylidene)methyl]phenol
CID 136704591

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (CID 137289962) is 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is Oc1ccc(/C=N/NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The InChIKey is HNTIWALBJZIMKT-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13-3-1-2-12(8-13)10-20-19-9-11-4-6-14(21)7-5-11/h1-9,20-21H,10H2/b19-9+.
What are the key properties of 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol has a molecular weight of 294.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137289962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).