9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride

C21H20Cl2Hf — CID 23174972

IUPAC9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
SMILESC[CH-]C.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1C(C1=CC=CC1)c1ccccc1-2
InChIInChI=1S/C18H13.C3H7.2ClH.Hf/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;1-3-2;;;/h1-7,9-11,18H,8H2;3H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyLONBNRDZQGCJDJ-UHFFFAOYSA-L
MW521.79 g/mol
LogP-0.28
Rot. Bonds1

About 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride

9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride (PubChem CID 23174972) has the molecular formula C21H20Cl2Hf and a molecular weight of 521.79 g/mol. Its IUPAC name is 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride.

Molecular Properties

Compound Name9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
PubChem CID23174972
Molecular FormulaC21H20Cl2Hf
Molecular Weight521.79 g/mol
Exact Mass522.04
IUPAC Name9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
SMILESC[CH-]C.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1C(C1=CC=CC1)c1ccccc1-2
InChIInChI=1S/C18H13.C3H7.2ClH.Hf/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;1-3-2;;;/h1-7,9-11,18H,8H2;3H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyLONBNRDZQGCJDJ-UHFFFAOYSA-L
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.79
LogP ≤ 5-0.28
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 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride?
The IUPAC name of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride (CID 23174972) is 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride.
What is the SMILES notation for 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride?
The canonical SMILES for 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride is C[CH-]C.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1C(C1=CC=CC1)c1ccccc1-2.
What is the InChIKey of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride?
The InChIKey is LONBNRDZQGCJDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13.C3H7.2ClH.Hf/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;1-3-2;;;/h1-7,9-11,18H,8H2;3H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride?
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride has a molecular weight of 521.79 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride is sourced from PubChem (CID 23174972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).