1,2,3,4,5-pentafluorobenzene-6-ide;titanium

C6F5Ti- — CID 87571905

IUPAC1,2,3,4,5-pentafluorobenzene-6-ide;titanium
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Ti]
InChIInChI=1S/C6F5.Ti/c7-2-1-3(8)5(10)6(11)4(2)9;/q-1;
InChIKeyUWBMNWHRZQHJHC-UHFFFAOYSA-N
MW214.92 g/mol
LogP2.18
Rot. Bonds

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

1,2,3,4,5-pentafluorobenzene-6-ide;titanium (PubChem CID 87571905) has the molecular formula C6F5Ti- and a molecular weight of 214.92 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluorobenzene-6-ide;titanium.

Molecular Properties

Compound Name1,2,3,4,5-pentafluorobenzene-6-ide;titanium
PubChem CID87571905
Molecular FormulaC6F5Ti-
Molecular Weight214.92 g/mol
Exact Mass214.94
IUPAC Name1,2,3,4,5-pentafluorobenzene-6-ide;titanium
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Ti]
InChIInChI=1S/C6F5.Ti/c7-2-1-3(8)5(10)6(11)4(2)9;/q-1;
InChIKeyUWBMNWHRZQHJHC-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.92
LogP ≤ 52.18
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

azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide
CID 175473652
carbanide;1,2,3,4,5-pentafluorobenzene-6-ide;yttrium
CID 59920259
CID 172837158
CID 172837158
carbon monoxide;1,2,3,4,5-pentafluorobenzene-6-ide;rhenium
CID 631925
2,4-dichloro-1,3,5-trifluorobenzene-6-ide;titanium
CID 152611053
magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)
CID 11506435
nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
CID 87365885
dilithium;1,2,4,5-tetrafluorobenzene-3,6-diide
CID 165346414
magnesium;2,3,4,5,6,7,8-heptafluoro-1H-naphthalen-1-ide;bromide
CID 87467832
magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride
CID 90189953
bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium
CID 135046013
CID 11239390
CID 11239390

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluorobenzene-6-ide;titanium?
The IUPAC name of 1,2,3,4,5-pentafluorobenzene-6-ide;titanium (CID 87571905) is 1,2,3,4,5-pentafluorobenzene-6-ide;titanium.
What is the SMILES notation for 1,2,3,4,5-pentafluorobenzene-6-ide;titanium?
The canonical SMILES for 1,2,3,4,5-pentafluorobenzene-6-ide;titanium is Fc1[c-]c(F)c(F)c(F)c1F.[Ti].
What is the InChIKey of 1,2,3,4,5-pentafluorobenzene-6-ide;titanium?
The InChIKey is UWBMNWHRZQHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F5.Ti/c7-2-1-3(8)5(10)6(11)4(2)9;/q-1;.
What are the key properties of 1,2,3,4,5-pentafluorobenzene-6-ide;titanium?
1,2,3,4,5-pentafluorobenzene-6-ide;titanium has a molecular weight of 214.92 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluorobenzene-6-ide;titanium is sourced from PubChem (CID 87571905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).