2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium

C6Cl2F3Ti- — CID 152611053

IUPAC2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium
SMILESFc1[c-]c(F)c(Cl)c(F)c1Cl.[Ti]
InChIInChI=1S/C6Cl2F3.Ti/c7-4-2(9)1-3(10)5(8)6(4)11;/q-1;
InChIKeyCIPBSYCCXRIOAB-UHFFFAOYSA-N
MW247.83 g/mol
LogP3.21
Rot. Bonds

About 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium

2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium (PubChem CID 152611053) has the molecular formula C6Cl2F3Ti- and a molecular weight of 247.83 g/mol. Its IUPAC name is 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium.

Molecular Properties

Compound Name2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium
PubChem CID152611053
Molecular FormulaC6Cl2F3Ti-
Molecular Weight247.83 g/mol
Exact Mass246.88
IUPAC Name2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium
SMILESFc1[c-]c(F)c(Cl)c(F)c1Cl.[Ti]
InChIInChI=1S/C6Cl2F3.Ti/c7-4-2(9)1-3(10)5(8)6(4)11;/q-1;
InChIKeyCIPBSYCCXRIOAB-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.83
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-Dichloro-2,4,6-tri-fluorophenyllithium
CID 85676212
1,5-Dichloro-2,3,4-trifluorobenzene-6-ide
CID 101432351
2,4-Dichloro-1,3,5-trifluorobenzene-6-ide
CID 102573381
Magnesium;3-chloro-1,2,4,5-tetrafluorobenzene-6-ide;chloride
CID 13978407
Magnesium;2,4-dichloro-1,3,5-trifluorobenzene-6-ide;bromide
CID 87244356
2,4-Dichloro-1,3,5-trifluorobenzene-6-ide;gold(1+)
CID 177599518

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium?
The IUPAC name of 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium (CID 152611053) is 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium.
What is the SMILES notation for 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium?
The canonical SMILES for 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium is Fc1[c-]c(F)c(Cl)c(F)c1Cl.[Ti].
What is the InChIKey of 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium?
The InChIKey is CIPBSYCCXRIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F3.Ti/c7-4-2(9)1-3(10)5(8)6(4)11;/q-1;.
What are the key properties of 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium?
2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium has a molecular weight of 247.83 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium is sourced from PubChem (CID 152611053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).