3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol

C9H13F4NO — CID 171397175

IUPAC3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol
SMILESOC1C(F)(F)CNC12CCC(F)(F)CC2
InChIInChI=1S/C9H13F4NO/c10-8(11)3-1-7(2-4-8)6(15)9(12,13)5-14-7/h6,14-15H,1-5H2
InChIKeyQRLYITLAAITXMY-UHFFFAOYSA-N
MW227.20 g/mol
LogP1.53
Rot. Bonds

About 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol

3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol (PubChem CID 171397175) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol
PubChem CID171397175
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol
SMILESOC1C(F)(F)CNC12CCC(F)(F)CC2
InChIInChI=1S/C9H13F4NO/c10-8(11)3-1-7(2-4-8)6(15)9(12,13)5-14-7/h6,14-15H,1-5H2
InChIKeyQRLYITLAAITXMY-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol?
The IUPAC name of 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol (CID 171397175) is 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol?
The canonical SMILES for 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol is OC1C(F)(F)CNC12CCC(F)(F)CC2.
What is the InChIKey of 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol?
The InChIKey is QRLYITLAAITXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c10-8(11)3-1-7(2-4-8)6(15)9(12,13)5-14-7/h6,14-15H,1-5H2.
What are the key properties of 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol?
3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol has a molecular weight of 227.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,8-tetrafluoro-1-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 171397175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).