3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol

C8H11F4NO — CID 171479099

IUPAC3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol
SMILESOC1C(F)(F)CNC12CCCC2(F)F
InChIInChI=1S/C8H11F4NO/c9-7(10)4-13-6(5(7)14)2-1-3-8(6,11)12/h5,13-14H,1-4H2
InChIKeyZSEVLXLJTPBFAN-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.14
Rot. Bonds

About 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol

3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol (PubChem CID 171479099) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol
PubChem CID171479099
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol
SMILESOC1C(F)(F)CNC12CCCC2(F)F
InChIInChI=1S/C8H11F4NO/c9-7(10)4-13-6(5(7)14)2-1-3-8(6,11)12/h5,13-14H,1-4H2
InChIKeyZSEVLXLJTPBFAN-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol?
The IUPAC name of 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol (CID 171479099) is 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol.
What is the SMILES notation for 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol?
The canonical SMILES for 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol is OC1C(F)(F)CNC12CCCC2(F)F.
What is the InChIKey of 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol?
The InChIKey is ZSEVLXLJTPBFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c9-7(10)4-13-6(5(7)14)2-1-3-8(6,11)12/h5,13-14H,1-4H2.
What are the key properties of 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol?
3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol has a molecular weight of 213.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9,9-tetrafluoro-1-azaspiro[4.4]nonan-4-ol is sourced from PubChem (CID 171479099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).