4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane

C15H26FNO — CID 113361796

IUPAC4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane
SMILESFC1(C2CCOC3(CCCC3)C2)CCCNCC1
InChIInChI=1S/C15H26FNO/c16-15(7-3-9-17-10-8-15)13-4-11-18-14(12-13)5-1-2-6-14/h13,17H,1-12H2
InChIKeyJFVBHVMVHYUBCF-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.21
Rot. Bonds1

About 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane

4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane (PubChem CID 113361796) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane
PubChem CID113361796
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane
SMILESFC1(C2CCOC3(CCCC3)C2)CCCNCC1
InChIInChI=1S/C15H26FNO/c16-15(7-3-9-17-10-8-15)13-4-11-18-14(12-13)5-1-2-6-14/h13,17H,1-12H2
InChIKeyJFVBHVMVHYUBCF-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane 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-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane?
The IUPAC name of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane (CID 113361796) is 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane.
What is the SMILES notation for 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane?
The canonical SMILES for 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane is FC1(C2CCOC3(CCCC3)C2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane?
The InChIKey is JFVBHVMVHYUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO/c16-15(7-3-9-17-10-8-15)13-4-11-18-14(12-13)5-1-2-6-14/h13,17H,1-12H2.
What are the key properties of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane?
4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane has a molecular weight of 255.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)azepane is sourced from PubChem (CID 113361796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).