4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine

C14H24FNO — CID 112562523

IUPAC4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H24FNO/c15-14(7-2-12(16)3-8-14)11-4-9-17-13(10-11)5-1-6-13/h11-12H,1-10,16H2
InChIKeyCHRVSMCGXIYXFQ-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.95
Rot. Bonds1

About 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine

4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine (PubChem CID 112562523) 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)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine
PubChem CID112562523
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H24FNO/c15-14(7-2-12(16)3-8-14)11-4-9-17-13(10-11)5-1-6-13/h11-12H,1-10,16H2
InChIKeyCHRVSMCGXIYXFQ-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine 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-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine (CID 112562523) is 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine is NC1CCC(F)(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine?
The InChIKey is CHRVSMCGXIYXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c15-14(7-2-12(16)3-8-14)11-4-9-17-13(10-11)5-1-6-13/h11-12H,1-10,16H2.
What are the key properties of 4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine?
4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine has a molecular weight of 241.35 g/mol, XLogP of 2.95, 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)cyclohexan-1-amine is sourced from PubChem (CID 112562523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).