CID 11342758

C18H28F3O3S — CID 11342758

IUPAC—
SMILESCCC[C]1[C](CCC)[C](CCC)[C](OS(=O)(=O)C(F)(F)F)[C]1CCC
InChIInChI=1S/C18H28F3O3S/c1-5-9-13-14(10-6-2)16(12-8-4)17(15(13)11-7-3)24-25(22,23)18(19,20)21/h5-12H2,1-4H3
InChIKeyQGBUMZOTCOBMPC-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.90
Rot. Bonds10

About CID 11342758

CID 11342758 (PubChem CID 11342758) has the molecular formula C18H28F3O3S and a molecular weight of 381.48 g/mol.

Molecular Properties

Compound NameCID 11342758
PubChem CID11342758
Molecular FormulaC18H28F3O3S
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name—
SMILESCCC[C]1[C](CCC)[C](CCC)[C](OS(=O)(=O)C(F)(F)F)[C]1CCC
InChIInChI=1S/C18H28F3O3S/c1-5-9-13-14(10-6-2)16(12-8-4)17(15(13)11-7-3)24-25(22,23)18(19,20)21/h5-12H2,1-4H3
InChIKeyQGBUMZOTCOBMPC-UHFFFAOYSA-N
XLogP5.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11342758?
The IUPAC name of CID 11342758 (CID 11342758) is not available.
What is the SMILES notation for CID 11342758?
The canonical SMILES for CID 11342758 is CCC[C]1[C](CCC)[C](CCC)[C](OS(=O)(=O)C(F)(F)F)[C]1CCC.
What is the InChIKey of CID 11342758?
The InChIKey is QGBUMZOTCOBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3O3S/c1-5-9-13-14(10-6-2)16(12-8-4)17(15(13)11-7-3)24-25(22,23)18(19,20)21/h5-12H2,1-4H3.
What are the key properties of CID 11342758?
CID 11342758 has a molecular weight of 381.48 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11342758 is sourced from PubChem (CID 11342758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).