CID 100988554

C24H27F2Ta — CID 100988554

IUPAC—
SMILESC=C1C=C[C](C)C=C1.C=C1C=C[C](C)C=C1.C=C1C=C[C](C)C=C1.[F-].[F-].[Ta+2]
InChIInChI=1S/3C8H9.2FH.Ta/c3*1-7-3-5-8(2)6-4-7;;;/h3*3-6H,1H2,2H3;2*1H;/q;;;;;+2/p-2
InChIKeyZPICXTVYJMURQL-UHFFFAOYSA-L
MW534.42 g/mol
LogP0.79
Rot. Bonds

About CID 100988554

CID 100988554 (PubChem CID 100988554) has the molecular formula C24H27F2Ta and a molecular weight of 534.42 g/mol.

Molecular Properties

Compound NameCID 100988554
PubChem CID100988554
Molecular FormulaC24H27F2Ta
Molecular Weight534.42 g/mol
Exact Mass534.16
IUPAC Name—
SMILESC=C1C=C[C](C)C=C1.C=C1C=C[C](C)C=C1.C=C1C=C[C](C)C=C1.[F-].[F-].[Ta+2]
InChIInChI=1S/3C8H9.2FH.Ta/c3*1-7-3-5-8(2)6-4-7;;;/h3*3-6H,1H2,2H3;2*1H;/q;;;;;+2/p-2
InChIKeyZPICXTVYJMURQL-UHFFFAOYSA-L
XLogP0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.42
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 100988554?
The IUPAC name of CID 100988554 (CID 100988554) is not available.
What is the SMILES notation for CID 100988554?
The canonical SMILES for CID 100988554 is C=C1C=C[C](C)C=C1.C=C1C=C[C](C)C=C1.C=C1C=C[C](C)C=C1.[F-].[F-].[Ta+2].
What is the InChIKey of CID 100988554?
The InChIKey is ZPICXTVYJMURQL-UHFFFAOYSA-L. The full InChI is InChI=1S/3C8H9.2FH.Ta/c3*1-7-3-5-8(2)6-4-7;;;/h3*3-6H,1H2,2H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of CID 100988554?
CID 100988554 has a molecular weight of 534.42 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100988554 is sourced from PubChem (CID 100988554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).