4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane

C14H24FNO — CID 113361778

IUPAC4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane
SMILESFC1(C2CCOC3(CCC3)C2)CCCNCC1
InChIInChI=1S/C14H24FNO/c15-14(6-2-8-16-9-7-14)12-3-10-17-13(11-12)4-1-5-13/h12,16H,1-11H2
InChIKeyCKJZXRUFGNBVQL-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.82
Rot. Bonds1

About 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane

4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane (PubChem CID 113361778) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane
PubChem CID113361778
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane
SMILESFC1(C2CCOC3(CCC3)C2)CCCNCC1
InChIInChI=1S/C14H24FNO/c15-14(6-2-8-16-9-7-14)12-3-10-17-13(11-12)4-1-5-13/h12,16H,1-11H2
InChIKeyCKJZXRUFGNBVQL-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane?
The IUPAC name of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane (CID 113361778) is 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane.
What is the SMILES notation for 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane?
The canonical SMILES for 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane is FC1(C2CCOC3(CCC3)C2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane?
The InChIKey is CKJZXRUFGNBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c15-14(6-2-8-16-9-7-14)12-3-10-17-13(11-12)4-1-5-13/h12,16H,1-11H2.
What are the key properties of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane?
4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane has a molecular weight of 241.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)azepane is sourced from PubChem (CID 113361778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).