CID 66773741

C10H13FSi — CID 66773741

IUPAC—
SMILESCCc1cccc([Si]F)c1CC
InChIInChI=1S/C10H13FSi/c1-3-8-6-5-7-10(12-11)9(8)4-2/h5-7H,3-4H2,1-2H3
InChIKeyHCPBBEHXQVSNNJ-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.03
Rot. Bonds3

About CID 66773741

CID 66773741 (PubChem CID 66773741) has the molecular formula C10H13FSi and a molecular weight of 180.30 g/mol.

Molecular Properties

Compound NameCID 66773741
PubChem CID66773741
Molecular FormulaC10H13FSi
Molecular Weight180.30 g/mol
Exact Mass180.08
IUPAC Name—
SMILESCCc1cccc([Si]F)c1CC
InChIInChI=1S/C10H13FSi/c1-3-8-6-5-7-10(12-11)9(8)4-2/h5-7H,3-4H2,1-2H3
InChIKeyHCPBBEHXQVSNNJ-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66773741?
The IUPAC name of CID 66773741 (CID 66773741) is not available.
What is the SMILES notation for CID 66773741?
The canonical SMILES for CID 66773741 is CCc1cccc([Si]F)c1CC.
What is the InChIKey of CID 66773741?
The InChIKey is HCPBBEHXQVSNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FSi/c1-3-8-6-5-7-10(12-11)9(8)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of CID 66773741?
CID 66773741 has a molecular weight of 180.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66773741 is sourced from PubChem (CID 66773741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).