4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane

C15H26FNO2 — CID 103983778

IUPAC4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane
SMILESFC1(C2CCOC3(CCOCC3)C2)CCCNCC1
InChIInChI=1S/C15H26FNO2/c16-15(3-1-7-17-8-4-15)13-2-9-19-14(12-13)5-10-18-11-6-14/h13,17H,1-12H2
InChIKeyYHZYOJHOSPYMIZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.44
Rot. Bonds1

About 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane

4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane (PubChem CID 103983778) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane.

Molecular Properties

Compound Name4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane
PubChem CID103983778
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Name4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane
SMILESFC1(C2CCOC3(CCOCC3)C2)CCCNCC1
InChIInChI=1S/C15H26FNO2/c16-15(3-1-7-17-8-4-15)13-2-9-19-14(12-13)5-10-18-11-6-14/h13,17H,1-12H2
InChIKeyYHZYOJHOSPYMIZ-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane 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 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane?
The IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane (CID 103983778) is 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane.
What is the SMILES notation for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane?
The canonical SMILES for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane is FC1(C2CCOC3(CCOCC3)C2)CCCNCC1.
What is the InChIKey of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane?
The InChIKey is YHZYOJHOSPYMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO2/c16-15(3-1-7-17-8-4-15)13-2-9-19-14(12-13)5-10-18-11-6-14/h13,17H,1-12H2.
What are the key properties of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane?
4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane has a molecular weight of 271.38 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-fluoroazepane is sourced from PubChem (CID 103983778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).