CID 142199601

C24H31F3O3 — CID 142199601

IUPAC—
SMILESCC1CC2CC(C)C3(OOC4(CCC(c5ccc(C(F)(F)F)cc5)CC4)O3)C(C1)C2
InChIInChI=1S/C24H31F3O3/c1-15-11-17-13-16(2)23(21(12-15)14-17)28-22(29-30-23)9-7-19(8-10-22)18-3-5-20(6-4-18)24(25,26)27/h3-6,15-17,19,21H,7-14H2,1-2H3
InChIKeySVRHDWKPPXMXMJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.83
Rot. Bonds1

About CID 142199601

CID 142199601 (PubChem CID 142199601) has the molecular formula C24H31F3O3 and a molecular weight of 424.50 g/mol.

Molecular Properties

Compound NameCID 142199601
PubChem CID142199601
Molecular FormulaC24H31F3O3
Molecular Weight424.50 g/mol
Exact Mass424.22
IUPAC Name—
SMILESCC1CC2CC(C)C3(OOC4(CCC(c5ccc(C(F)(F)F)cc5)CC4)O3)C(C1)C2
InChIInChI=1S/C24H31F3O3/c1-15-11-17-13-16(2)23(21(12-15)14-17)28-22(29-30-23)9-7-19(8-10-22)18-3-5-20(6-4-18)24(25,26)27/h3-6,15-17,19,21H,7-14H2,1-2H3
InChIKeySVRHDWKPPXMXMJ-UHFFFAOYSA-N
XLogP6.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 142199601 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 142199601?
The IUPAC name of CID 142199601 (CID 142199601) is not available.
What is the SMILES notation for CID 142199601?
The canonical SMILES for CID 142199601 is CC1CC2CC(C)C3(OOC4(CCC(c5ccc(C(F)(F)F)cc5)CC4)O3)C(C1)C2.
What is the InChIKey of CID 142199601?
The InChIKey is SVRHDWKPPXMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3O3/c1-15-11-17-13-16(2)23(21(12-15)14-17)28-22(29-30-23)9-7-19(8-10-22)18-3-5-20(6-4-18)24(25,26)27/h3-6,15-17,19,21H,7-14H2,1-2H3.
What are the key properties of CID 142199601?
CID 142199601 has a molecular weight of 424.50 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142199601 is sourced from PubChem (CID 142199601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).