2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H9Cl2F3N2O — CID 136914398

IUPAC2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9Cl2F3N2O/c15-10-5-9(14(17,18)19)6-11(16)13(10)21-20-7-8-3-1-2-4-12(8)22/h1-7,21-22H
InChIKeyMGMYVRCYDYTWEN-UHFFFAOYSA-N
MW349.14 g/mol
LogP5.16
Rot. Bonds3

About 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 136914398) has the molecular formula C14H9Cl2F3N2O and a molecular weight of 349.14 g/mol. Its IUPAC name is 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID136914398
Molecular FormulaC14H9Cl2F3N2O
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC Name2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9Cl2F3N2O/c15-10-5-9(14(17,18)19)6-11(16)13(10)21-20-7-8-3-1-2-4-12(8)22/h1-7,21-22H
InChIKeyMGMYVRCYDYTWEN-UHFFFAOYSA-N
XLogP5.16
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.14
LogP ≤ 55.16
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]phenol
CID 4688997
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
CID 46949285
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol;4-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 173032532
2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 2781657
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]phenol
CID 135847612
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 3287632
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943

Frequently Asked Questions

What is the IUPAC name of 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 136914398) is 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is Oc1ccccc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is MGMYVRCYDYTWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O/c15-10-5-9(14(17,18)19)6-11(16)13(10)21-20-7-8-3-1-2-4-12(8)22/h1-7,21-22H.
What are the key properties of 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 349.14 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136914398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).