CID 22902616

C17H22Cl2FSi — CID 22902616

IUPAC—
SMILESFc1cc(C2(C3CC[Si](Cl)CC3)CCCCC2)ccc1Cl
InChIInChI=1S/C17H22Cl2FSi/c18-15-5-4-14(12-16(15)20)17(8-2-1-3-9-17)13-6-10-21(19)11-7-13/h4-5,12-13H,1-3,6-11H2
InChIKeyIOUFUBOWMSUWNX-UHFFFAOYSA-N
MW344.35 g/mol
LogP6.32
Rot. Bonds2

About CID 22902616

CID 22902616 (PubChem CID 22902616) has the molecular formula C17H22Cl2FSi and a molecular weight of 344.35 g/mol.

Molecular Properties

Compound NameCID 22902616
PubChem CID22902616
Molecular FormulaC17H22Cl2FSi
Molecular Weight344.35 g/mol
Exact Mass343.09
IUPAC Name—
SMILESFc1cc(C2(C3CC[Si](Cl)CC3)CCCCC2)ccc1Cl
InChIInChI=1S/C17H22Cl2FSi/c18-15-5-4-14(12-16(15)20)17(8-2-1-3-9-17)13-6-10-21(19)11-7-13/h4-5,12-13H,1-3,6-11H2
InChIKeyIOUFUBOWMSUWNX-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 56.32
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 22902616?
The IUPAC name of CID 22902616 (CID 22902616) is not available.
What is the SMILES notation for CID 22902616?
The canonical SMILES for CID 22902616 is Fc1cc(C2(C3CC[Si](Cl)CC3)CCCCC2)ccc1Cl.
What is the InChIKey of CID 22902616?
The InChIKey is IOUFUBOWMSUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2FSi/c18-15-5-4-14(12-16(15)20)17(8-2-1-3-9-17)13-6-10-21(19)11-7-13/h4-5,12-13H,1-3,6-11H2.
What are the key properties of CID 22902616?
CID 22902616 has a molecular weight of 344.35 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22902616 is sourced from PubChem (CID 22902616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).