CID 10940628

C20H31BF4Pt- — CID 10940628

IUPAC—
SMILESCC1=C(C)C(C)C(C)=C1C.C[C]1[C](C)[C](C)[C](C)[C]1C.F[B-](F)(F)F.[Pt]
InChIInChI=1S/C10H16.C10H15.BF4.Pt/c2*1-6-7(2)9(4)10(5)8(6)3;2-1(3,4)5;/h6H,1-5H3;1-5H3;;/q;;-1;
InChIKeyBUYUWGNSGWLCHV-UHFFFAOYSA-N
MW553.35 g/mol
LogP7.58
Rot. Bonds

About CID 10940628

CID 10940628 (PubChem CID 10940628) has the molecular formula C20H31BF4Pt- and a molecular weight of 553.35 g/mol.

Molecular Properties

Compound NameCID 10940628
PubChem CID10940628
Molecular FormulaC20H31BF4Pt-
Molecular Weight553.35 g/mol
Exact Mass553.21
IUPAC Name—
SMILESCC1=C(C)C(C)C(C)=C1C.C[C]1[C](C)[C](C)[C](C)[C]1C.F[B-](F)(F)F.[Pt]
InChIInChI=1S/C10H16.C10H15.BF4.Pt/c2*1-6-7(2)9(4)10(5)8(6)3;2-1(3,4)5;/h6H,1-5H3;1-5H3;;/q;;-1;
InChIKeyBUYUWGNSGWLCHV-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.35
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 10940628 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10940628?
The IUPAC name of CID 10940628 (CID 10940628) is not available.
What is the SMILES notation for CID 10940628?
The canonical SMILES for CID 10940628 is CC1=C(C)C(C)C(C)=C1C.C[C]1[C](C)[C](C)[C](C)[C]1C.F[B-](F)(F)F.[Pt].
What is the InChIKey of CID 10940628?
The InChIKey is BUYUWGNSGWLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C10H15.BF4.Pt/c2*1-6-7(2)9(4)10(5)8(6)3;2-1(3,4)5;/h6H,1-5H3;1-5H3;;/q;;-1;.
What are the key properties of CID 10940628?
CID 10940628 has a molecular weight of 553.35 g/mol, XLogP of 7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10940628 is sourced from PubChem (CID 10940628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).