cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride

C11H15F2Ti — CID 174711330

IUPACcyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride
SMILES[C-]1=C(C2CCCCC2)C=CC1.[F-].[F-].[Ti+3]
InChIInChI=1S/C11H15.2FH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;+3/p-2
InChIKeyYUPGKYSINHCYLV-UHFFFAOYSA-L
MW233.10 g/mol
LogP-2.74
Rot. Bonds1

About cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride

cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride (PubChem CID 174711330) has the molecular formula C11H15F2Ti and a molecular weight of 233.10 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride
PubChem CID174711330
Molecular FormulaC11H15F2Ti
Molecular Weight233.10 g/mol
Exact Mass233.06
IUPAC Namecyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride
SMILES[C-]1=C(C2CCCCC2)C=CC1.[F-].[F-].[Ti+3]
InChIInChI=1S/C11H15.2FH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;+3/p-2
InChIKeyYUPGKYSINHCYLV-UHFFFAOYSA-L
XLogP-2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 5-2.74
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

6-Cyclohexylfulvene
CID 13250204
2,6,7,7a-tetrahydro-1H-indene
CID 13276119
1H-Indene, 5,6,7,7a-tetrahydro-
CID 11528341
(Cyclopenta-1,3-dien-1-yl)cyclohexane
CID 12531744
2-Cyclohexylcyclohexa-1,3-diene
CID 18461331
1,2,3,4,4a,5-Hexahydronaphthalene
CID 19904442
Naphthalene-d12
CID 129732722
Bicyclo[5.4.0]undecatriene
CID 129816494
Hexahydrobenzo[8]annulene
CID 129842428
Naphthalene-D10
CID 129845836
[(3E)-nona-1,3-dien-2-yl]cyclohexane
CID 170590627
2-(3,3-Difluorocyclohexyl)cyclohexa-1,3-diene
CID 68346258

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride?
The IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride (CID 174711330) is cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride?
The canonical SMILES for cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride is [C-]1=C(C2CCCCC2)C=CC1.[F-].[F-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride?
The InChIKey is YUPGKYSINHCYLV-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H15.2FH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride?
cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride has a molecular weight of 233.10 g/mol, XLogP of -2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride is sourced from PubChem (CID 174711330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).