4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine

C15H26FNO — CID 112562460

IUPAC4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C15H26FNO/c16-15(8-3-13(17)4-9-15)12-5-10-18-14(11-12)6-1-2-7-14/h12-13H,1-11,17H2
InChIKeyOSJYNOCTKCCBEQ-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.34
Rot. Bonds1

About 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine

4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine (PubChem CID 112562460) 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)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
PubChem CID112562460
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C15H26FNO/c16-15(8-3-13(17)4-9-15)12-5-10-18-14(11-12)6-1-2-7-14/h12-13H,1-11,17H2
InChIKeyOSJYNOCTKCCBEQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine (CID 112562460) is 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine is NC1CCC(F)(C2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The InChIKey is OSJYNOCTKCCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO/c16-15(8-3-13(17)4-9-15)12-5-10-18-14(11-12)6-1-2-7-14/h12-13H,1-11,17H2.
What are the key properties of 4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
4-fluoro-4-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 3.34, 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)cyclohexan-1-amine is sourced from PubChem (CID 112562460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).