3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane

C16H27FO2 — CID 21459470

IUPAC3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESFCCC1CCC(C2COC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H27FO2/c17-11-8-13-4-6-14(7-5-13)15-12-18-16(19-15)9-2-1-3-10-16/h13-15H,1-12H2
InChIKeyFIEKZIMWYDCJIR-UHFFFAOYSA-N
MW270.39 g/mol
LogP4.23
Rot. Bonds3

About 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane

3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 21459470) has the molecular formula C16H27FO2 and a molecular weight of 270.39 g/mol. Its IUPAC name is 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
PubChem CID21459470
Molecular FormulaC16H27FO2
Molecular Weight270.39 g/mol
Exact Mass270.20
IUPAC Name3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESFCCC1CCC(C2COC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H27FO2/c17-11-8-13-4-6-14(7-5-13)15-12-18-16(19-15)9-2-1-3-10-16/h13-15H,1-12H2
InChIKeyFIEKZIMWYDCJIR-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane 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 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane (CID 21459470) is 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane is FCCC1CCC(C2COC3(CCCCC3)O2)CC1.
What is the InChIKey of 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is FIEKZIMWYDCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FO2/c17-11-8-13-4-6-14(7-5-13)15-12-18-16(19-15)9-2-1-3-10-16/h13-15H,1-12H2.
What are the key properties of 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 270.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoroethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 21459470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).