cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)

C13H23F6HfN3Si — CID 151659534

IUPACcyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)
SMILESCC[NH-].CC[NH-].CC[NH-].FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Hf+4]
InChIInChI=1S/C7H5F6Si.3C2H6N.Hf/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-2-3;/h1-4,14H;3*3H,2H2,1H3;/q4*-1;+4
InChIKeyQWFVYUGSCNBIGJ-UHFFFAOYSA-N
MW541.91 g/mol
LogP5.22
Rot. Bonds1

About cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)

cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+) (PubChem CID 151659534) has the molecular formula C13H23F6HfN3Si and a molecular weight of 541.91 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)
PubChem CID151659534
Molecular FormulaC13H23F6HfN3Si
Molecular Weight541.91 g/mol
Exact Mass543.10
IUPAC Namecyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)
SMILESCC[NH-].CC[NH-].CC[NH-].FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Hf+4]
InChIInChI=1S/C7H5F6Si.3C2H6N.Hf/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-2-3;/h1-4,14H;3*3H,2H2,1H3;/q4*-1;+4
InChIKeyQWFVYUGSCNBIGJ-UHFFFAOYSA-N
XLogP5.22
TPSA71.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.91
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+) (CID 151659534) is cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+) is CC[NH-].CC[NH-].CC[NH-].FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Hf+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)?
The InChIKey is QWFVYUGSCNBIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6Si.3C2H6N.Hf/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-2-3;/h1-4,14H;3*3H,2H2,1H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+)?
cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+) has a molecular weight of 541.91 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;ethylazanide;hafnium(4+) is sourced from PubChem (CID 151659534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).