dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol

C14H10Cl2F3NOTi — CID 135967283

IUPACdichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
SMILESCl[Ti]Cl.Oc1c(/C=N/c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO.2ClH.Ti/c15-14(16,17)12-8-4-5-10(13(12)19)9-18-11-6-2-1-3-7-11;;;/h1-9,19H;2*1H;/q;;;+2/p-2/b18-9+;;;
InChIKeyPYEXZLRACBGAIY-XNWZNIMTSA-L
MW384.01 g/mol
LogP5.54
Rot. Bonds2

About dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol

dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol (PubChem CID 135967283) has the molecular formula C14H10Cl2F3NOTi and a molecular weight of 384.01 g/mol. Its IUPAC name is dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Namedichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
PubChem CID135967283
Molecular FormulaC14H10Cl2F3NOTi
Molecular Weight384.01 g/mol
Exact Mass382.96
IUPAC Namedichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
SMILESCl[Ti]Cl.Oc1c(/C=N/c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO.2ClH.Ti/c15-14(16,17)12-8-4-5-10(13(12)19)9-18-11-6-2-1-3-7-11;;;/h1-9,19H;2*1H;/q;;;+2/p-2/b18-9+;;;
InChIKeyPYEXZLRACBGAIY-XNWZNIMTSA-L
XLogP5.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.01
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340671
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
bis(dichlorotitanium);2-[(4-methoxyphenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 158695131
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
2-tert-butyl-6-(phenyliminomethyl)phenol;oxolane;trichlorotitanium
CID 5242456
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
CID 4532078
bis(2-tert-butyl-6-[(4-pent-4-enoxyphenyl)iminomethyl]phenol);dichlorotitanium
CID 137229364
2-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-(4-methylphenyl)methyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 136635876

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol?
The IUPAC name of dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol (CID 135967283) is dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol.
What is the SMILES notation for dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol?
The canonical SMILES for dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol is Cl[Ti]Cl.Oc1c(/C=N/c2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol?
The InChIKey is PYEXZLRACBGAIY-XNWZNIMTSA-L. The full InChI is InChI=1S/C14H10F3NO.2ClH.Ti/c15-14(16,17)12-8-4-5-10(13(12)19)9-18-11-6-2-1-3-7-11;;;/h1-9,19H;2*1H;/q;;;+2/p-2/b18-9+;;;.
What are the key properties of dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol?
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol has a molecular weight of 384.01 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol is sourced from PubChem (CID 135967283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).