CID 10250882

C23H27F3O3 — CID 10250882

IUPAC—
SMILESFC(F)(F)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H27F3O3/c24-23(25,26)18-3-1-16(2-4-18)17-5-7-21(8-6-17)27-22(29-28-21)19-10-14-9-15(12-19)13-20(22)11-14/h1-4,14-15,17,19-20H,5-13H2
InChIKeyNIROYXVOJNKFHZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.19
Rot. Bonds1

About CID 10250882

CID 10250882 (PubChem CID 10250882) has the molecular formula C23H27F3O3 and a molecular weight of 408.46 g/mol.

Molecular Properties

Compound NameCID 10250882
PubChem CID10250882
Molecular FormulaC23H27F3O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name—
SMILESFC(F)(F)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H27F3O3/c24-23(25,26)18-3-1-16(2-4-18)17-5-7-21(8-6-17)27-22(29-28-21)19-10-14-9-15(12-19)13-20(22)11-14/h1-4,14-15,17,19-20H,5-13H2
InChIKeyNIROYXVOJNKFHZ-UHFFFAOYSA-N
XLogP6.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10250882?
The IUPAC name of CID 10250882 (CID 10250882) is not available.
What is the SMILES notation for CID 10250882?
The canonical SMILES for CID 10250882 is FC(F)(F)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 10250882?
The InChIKey is NIROYXVOJNKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O3/c24-23(25,26)18-3-1-16(2-4-18)17-5-7-21(8-6-17)27-22(29-28-21)19-10-14-9-15(12-19)13-20(22)11-14/h1-4,14-15,17,19-20H,5-13H2.
What are the key properties of CID 10250882?
CID 10250882 has a molecular weight of 408.46 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10250882 is sourced from PubChem (CID 10250882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).