5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane

C27H42F4O2 — CID 176797503

IUPAC5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane
SMILESFC1CC(C2CCC(C3CCC(C4OCC(C5CCCC5)CO4)CC3)CC2F)CC(F)C1F
InChIInChI=1S/C27H42F4O2/c28-23-11-19(9-10-22(23)20-12-24(29)26(31)25(30)13-20)17-5-7-18(8-6-17)27-32-14-21(15-33-27)16-3-1-2-4-16/h16-27H,1-15H2
InChIKeySWJCRKRTTSSEGG-UHFFFAOYSA-N
MW474.62 g/mol
LogP7.15
Rot. Bonds4

About 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane

5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane (PubChem CID 176797503) has the molecular formula C27H42F4O2 and a molecular weight of 474.62 g/mol. Its IUPAC name is 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane
PubChem CID176797503
Molecular FormulaC27H42F4O2
Molecular Weight474.62 g/mol
Exact Mass474.31
IUPAC Name5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane
SMILESFC1CC(C2CCC(C3CCC(C4OCC(C5CCCC5)CO4)CC3)CC2F)CC(F)C1F
InChIInChI=1S/C27H42F4O2/c28-23-11-19(9-10-22(23)20-12-24(29)26(31)25(30)13-20)17-5-7-18(8-6-17)27-32-14-21(15-33-27)16-3-1-2-4-16/h16-27H,1-15H2
InChIKeySWJCRKRTTSSEGG-UHFFFAOYSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane 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 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane?
The IUPAC name of 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane (CID 176797503) is 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane?
The canonical SMILES for 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane is FC1CC(C2CCC(C3CCC(C4OCC(C5CCCC5)CO4)CC3)CC2F)CC(F)C1F.
What is the InChIKey of 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane?
The InChIKey is SWJCRKRTTSSEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F4O2/c28-23-11-19(9-10-22(23)20-12-24(29)26(31)25(30)13-20)17-5-7-18(8-6-17)27-32-14-21(15-33-27)16-3-1-2-4-16/h16-27H,1-15H2.
What are the key properties of 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane?
5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane has a molecular weight of 474.62 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 176797503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).