difluorotitanium;bis(2-methylcyclopenta-1,3-diene)

C12H14F2Ti-2 — CID 2779173

IUPACdifluorotitanium;bis(2-methylcyclopenta-1,3-diene)
SMILESCc1cc[cH-]c1.Cc1cc[cH-]c1.F[Ti]F
InChIInChI=1S/2C6H7.2FH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyAUAZFJHTAXAWAW-UHFFFAOYSA-L
MW244.11 g/mol
LogP4.27
Rot. Bonds

About difluorotitanium;bis(2-methylcyclopenta-1,3-diene)

difluorotitanium;bis(2-methylcyclopenta-1,3-diene) (PubChem CID 2779173) has the molecular formula C12H14F2Ti-2 and a molecular weight of 244.11 g/mol. Its IUPAC name is difluorotitanium;bis(2-methylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedifluorotitanium;bis(2-methylcyclopenta-1,3-diene)
PubChem CID2779173
Molecular FormulaC12H14F2Ti-2
Molecular Weight244.11 g/mol
Exact Mass244.06
IUPAC Namedifluorotitanium;bis(2-methylcyclopenta-1,3-diene)
SMILESCc1cc[cH-]c1.Cc1cc[cH-]c1.F[Ti]F
InChIInChI=1S/2C6H7.2FH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyAUAZFJHTAXAWAW-UHFFFAOYSA-L
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of difluorotitanium;bis(2-methylcyclopenta-1,3-diene)?
The IUPAC name of difluorotitanium;bis(2-methylcyclopenta-1,3-diene) (CID 2779173) is difluorotitanium;bis(2-methylcyclopenta-1,3-diene).
What is the SMILES notation for difluorotitanium;bis(2-methylcyclopenta-1,3-diene)?
The canonical SMILES for difluorotitanium;bis(2-methylcyclopenta-1,3-diene) is Cc1cc[cH-]c1.Cc1cc[cH-]c1.F[Ti]F.
What is the InChIKey of difluorotitanium;bis(2-methylcyclopenta-1,3-diene)?
The InChIKey is AUAZFJHTAXAWAW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.2FH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of difluorotitanium;bis(2-methylcyclopenta-1,3-diene)?
difluorotitanium;bis(2-methylcyclopenta-1,3-diene) has a molecular weight of 244.11 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluorotitanium;bis(2-methylcyclopenta-1,3-diene) is sourced from PubChem (CID 2779173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).