1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium

C9H14F3Ti — CID 172805341

IUPAC1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium
SMILESCC1=C(C)C(C)=C(C)C1.F[Ti](F)F
InChIInChI=1S/C9H14.3FH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5H2,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyMJRFNAKXJHHTGA-UHFFFAOYSA-K
MW227.07 g/mol
LogP4.32
Rot. Bonds

About 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium

1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium (PubChem CID 172805341) has the molecular formula C9H14F3Ti and a molecular weight of 227.07 g/mol. Its IUPAC name is 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium.

Molecular Properties

Compound Name1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium
PubChem CID172805341
Molecular FormulaC9H14F3Ti
Molecular Weight227.07 g/mol
Exact Mass227.05
IUPAC Name1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium
SMILESCC1=C(C)C(C)=C(C)C1.F[Ti](F)F
InChIInChI=1S/C9H14.3FH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5H2,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyMJRFNAKXJHHTGA-UHFFFAOYSA-K
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium?
The IUPAC name of 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium (CID 172805341) is 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium.
What is the SMILES notation for 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium?
The canonical SMILES for 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium is CC1=C(C)C(C)=C(C)C1.F[Ti](F)F.
What is the InChIKey of 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium?
The InChIKey is MJRFNAKXJHHTGA-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H14.3FH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5H2,1-4H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium?
1,2,3,4-tetramethylcyclopenta-1,3-diene;trifluorotitanium has a molecular weight of 227.07 g/mol, XLogP of 4.32, 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-tetramethylcyclopenta-1,3-diene;trifluorotitanium is sourced from PubChem (CID 172805341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).