carbanide;penta-1,3-diene;titanium(4+);trifluoride

C6H11F3Ti — CID 161466579

IUPACcarbanide;penta-1,3-diene;titanium(4+);trifluoride
SMILESC=CC=CC.[CH3-].[F-].[F-].[F-].[Ti+4]
InChIInChI=1S/C5H8.CH3.3FH.Ti/c1-3-5-4-2;;;;;/h3-5H,1H2,2H3;1H3;3*1H;/q;-1;;;;+4/p-3
InChIKeyWCNCSGGLRNVFQX-UHFFFAOYSA-K
MW188.01 g/mol
LogP-6.79
Rot. Bonds1

About carbanide;penta-1,3-diene;titanium(4+);trifluoride

carbanide;penta-1,3-diene;titanium(4+);trifluoride (PubChem CID 161466579) has the molecular formula C6H11F3Ti and a molecular weight of 188.01 g/mol. Its IUPAC name is carbanide;penta-1,3-diene;titanium(4+);trifluoride.

Molecular Properties

Compound Namecarbanide;penta-1,3-diene;titanium(4+);trifluoride
PubChem CID161466579
Molecular FormulaC6H11F3Ti
Molecular Weight188.01 g/mol
Exact Mass188.03
IUPAC Namecarbanide;penta-1,3-diene;titanium(4+);trifluoride
SMILESC=CC=CC.[CH3-].[F-].[F-].[F-].[Ti+4]
InChIInChI=1S/C5H8.CH3.3FH.Ti/c1-3-5-4-2;;;;;/h3-5H,1H2,2H3;1H3;3*1H;/q;-1;;;;+4/p-3
InChIKeyWCNCSGGLRNVFQX-UHFFFAOYSA-K
XLogP-6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 5-6.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
methane;(3E)-penta-1,3-diene;propane
CID 143129609
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethane;penta-1,3-diene;propane
CID 143367111
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747

Frequently Asked Questions

What is the IUPAC name of carbanide;penta-1,3-diene;titanium(4+);trifluoride?
The IUPAC name of carbanide;penta-1,3-diene;titanium(4+);trifluoride (CID 161466579) is carbanide;penta-1,3-diene;titanium(4+);trifluoride.
What is the SMILES notation for carbanide;penta-1,3-diene;titanium(4+);trifluoride?
The canonical SMILES for carbanide;penta-1,3-diene;titanium(4+);trifluoride is C=CC=CC.[CH3-].[F-].[F-].[F-].[Ti+4].
What is the InChIKey of carbanide;penta-1,3-diene;titanium(4+);trifluoride?
The InChIKey is WCNCSGGLRNVFQX-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H8.CH3.3FH.Ti/c1-3-5-4-2;;;;;/h3-5H,1H2,2H3;1H3;3*1H;/q;-1;;;;+4/p-3.
What are the key properties of carbanide;penta-1,3-diene;titanium(4+);trifluoride?
carbanide;penta-1,3-diene;titanium(4+);trifluoride has a molecular weight of 188.01 g/mol, XLogP of -6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;penta-1,3-diene;titanium(4+);trifluoride is sourced from PubChem (CID 161466579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).