CID 11717421

C22H27FO3 — CID 11717421

IUPAC—
SMILESFC1(c2ccccc2)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H27FO3/c23-20(17-4-2-1-3-5-17)6-8-21(9-7-20)24-22(26-25-21)18-11-15-10-16(13-18)14-19(22)12-15/h1-5,15-16,18-19H,6-14H2
InChIKeyVUWYHMSTBHZZFR-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.25
Rot. Bonds1

About CID 11717421

CID 11717421 (PubChem CID 11717421) has the molecular formula C22H27FO3 and a molecular weight of 358.45 g/mol.

Molecular Properties

Compound NameCID 11717421
PubChem CID11717421
Molecular FormulaC22H27FO3
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name—
SMILESFC1(c2ccccc2)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H27FO3/c23-20(17-4-2-1-3-5-17)6-8-21(9-7-20)24-22(26-25-21)18-11-15-10-16(13-18)14-19(22)12-15/h1-5,15-16,18-19H,6-14H2
InChIKeyVUWYHMSTBHZZFR-UHFFFAOYSA-N
XLogP5.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 11717421 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11717421?
The IUPAC name of CID 11717421 (CID 11717421) is not available.
What is the SMILES notation for CID 11717421?
The canonical SMILES for CID 11717421 is FC1(c2ccccc2)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11717421?
The InChIKey is VUWYHMSTBHZZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FO3/c23-20(17-4-2-1-3-5-17)6-8-21(9-7-20)24-22(26-25-21)18-11-15-10-16(13-18)14-19(22)12-15/h1-5,15-16,18-19H,6-14H2.
What are the key properties of CID 11717421?
CID 11717421 has a molecular weight of 358.45 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11717421 is sourced from PubChem (CID 11717421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).