4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol

C12H22FNO — CID 144874048

IUPAC4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol
SMILESCCCCN1CC(O)CC(CF)C12CC2
InChIInChI=1S/C12H22FNO/c1-2-3-6-14-9-11(15)7-10(8-13)12(14)4-5-12/h10-11,15H,2-9H2,1H3
InChIKeyMMBXBLPVDXJVRQ-UHFFFAOYSA-N
MW215.31 g/mol
LogP1.97
Rot. Bonds4

About 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol

4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol (PubChem CID 144874048) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol.

Molecular Properties

Compound Name4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol
PubChem CID144874048
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol
SMILESCCCCN1CC(O)CC(CF)C12CC2
InChIInChI=1S/C12H22FNO/c1-2-3-6-14-9-11(15)7-10(8-13)12(14)4-5-12/h10-11,15H,2-9H2,1H3
InChIKeyMMBXBLPVDXJVRQ-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol?
The IUPAC name of 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol (CID 144874048) is 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol.
What is the SMILES notation for 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol?
The canonical SMILES for 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol is CCCCN1CC(O)CC(CF)C12CC2.
What is the InChIKey of 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol?
The InChIKey is MMBXBLPVDXJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-2-3-6-14-9-11(15)7-10(8-13)12(14)4-5-12/h10-11,15H,2-9H2,1H3.
What are the key properties of 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol?
4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol has a molecular weight of 215.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-8-(fluoromethyl)-4-azaspiro[2.5]octan-6-ol is sourced from PubChem (CID 144874048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).