2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)

C14H11Cl3Ti — CID 87704393

IUPAC2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Ti+](Cl)Cl
InChIInChI=1S/C14H11.3ClH.Ti/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;;/h2-7H,9H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyKVGLGXCTXVGXIG-UHFFFAOYSA-K
MW333.47 g/mol
LogP5.43
Rot. Bonds

About 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)

2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+) (PubChem CID 87704393) has the molecular formula C14H11Cl3Ti and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+).

Molecular Properties

Compound Name2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
PubChem CID87704393
Molecular FormulaC14H11Cl3Ti
Molecular Weight333.47 g/mol
Exact Mass331.94
IUPAC Name2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Ti+](Cl)Cl
InChIInChI=1S/C14H11.3ClH.Ti/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;;/h2-7H,9H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyKVGLGXCTXVGXIG-UHFFFAOYSA-K
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
CID 173312560
CID 173312560
CID 173312572
CID 173312572
bis(2,7-ditert-butyl-4-methyl-1,9-dihydrofluoren-1-ide);bis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(4+));tetrachloride
CID 161372658
lithium 2-cyclopenta-2,4-dien-1-yl-1,9-dihydrofluoren-1-ide
CID 161283415
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
CID 154493054
CID 154493054
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)?
The IUPAC name of 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+) (CID 87704393) is 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+).
What is the SMILES notation for 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)?
The canonical SMILES for 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+) is Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Ti+](Cl)Cl.
What is the InChIKey of 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)?
The InChIKey is KVGLGXCTXVGXIG-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H11.3ClH.Ti/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;;/h2-7H,9H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)?
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+) has a molecular weight of 333.47 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+) is sourced from PubChem (CID 87704393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).