CID 87894107

C9H10FSb — CID 87894107

IUPAC—
SMILESCC(C)([Sb])c1ccc(F)cc1
InChIInChI=1S/C9H10F.Sb/c1-7(2)8-3-5-9(10)6-4-8;/h3-6H,1-2H3;
InChIKeyTZSIPNDXYIEICO-UHFFFAOYSA-N
MW258.94 g/mol
LogP2.23
Rot. Bonds1

About CID 87894107

CID 87894107 (PubChem CID 87894107) has the molecular formula C9H10FSb and a molecular weight of 258.94 g/mol.

Molecular Properties

Compound NameCID 87894107
PubChem CID87894107
Molecular FormulaC9H10FSb
Molecular Weight258.94 g/mol
Exact Mass257.98
IUPAC Name—
SMILESCC(C)([Sb])c1ccc(F)cc1
InChIInChI=1S/C9H10F.Sb/c1-7(2)8-3-5-9(10)6-4-8;/h3-6H,1-2H3;
InChIKeyTZSIPNDXYIEICO-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.94
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87894107?
The IUPAC name of CID 87894107 (CID 87894107) is not available.
What is the SMILES notation for CID 87894107?
The canonical SMILES for CID 87894107 is CC(C)([Sb])c1ccc(F)cc1.
What is the InChIKey of CID 87894107?
The InChIKey is TZSIPNDXYIEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F.Sb/c1-7(2)8-3-5-9(10)6-4-8;/h3-6H,1-2H3;.
What are the key properties of CID 87894107?
CID 87894107 has a molecular weight of 258.94 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87894107 is sourced from PubChem (CID 87894107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).