CID 54080815

C22H25F4Si — CID 54080815

IUPAC—
SMILESCCCCC[Si]1CCC(c2c(-c3c(F)cccc3F)ccc(F)c2F)CC1
InChIInChI=1S/C22H25F4Si/c1-2-3-4-12-27-13-10-15(11-14-27)20-16(8-9-19(25)22(20)26)21-17(23)6-5-7-18(21)24/h5-9,15H,2-4,10-14H2,1H3
InChIKeyHMLZVWLTTWEXPC-UHFFFAOYSA-N
MW393.52 g/mol
LogP7.47
Rot. Bonds6

About CID 54080815

CID 54080815 (PubChem CID 54080815) has the molecular formula C22H25F4Si and a molecular weight of 393.52 g/mol.

Molecular Properties

Compound NameCID 54080815
PubChem CID54080815
Molecular FormulaC22H25F4Si
Molecular Weight393.52 g/mol
Exact Mass393.17
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2c(-c3c(F)cccc3F)ccc(F)c2F)CC1
InChIInChI=1S/C22H25F4Si/c1-2-3-4-12-27-13-10-15(11-14-27)20-16(8-9-19(25)22(20)26)21-17(23)6-5-7-18(21)24/h5-9,15H,2-4,10-14H2,1H3
InChIKeyHMLZVWLTTWEXPC-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54080815?
The IUPAC name of CID 54080815 (CID 54080815) is not available.
What is the SMILES notation for CID 54080815?
The canonical SMILES for CID 54080815 is CCCCC[Si]1CCC(c2c(-c3c(F)cccc3F)ccc(F)c2F)CC1.
What is the InChIKey of CID 54080815?
The InChIKey is HMLZVWLTTWEXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4Si/c1-2-3-4-12-27-13-10-15(11-14-27)20-16(8-9-19(25)22(20)26)21-17(23)6-5-7-18(21)24/h5-9,15H,2-4,10-14H2,1H3.
What are the key properties of CID 54080815?
CID 54080815 has a molecular weight of 393.52 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54080815 is sourced from PubChem (CID 54080815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).